CID 16724257

4,7-ethano-1h-isoindole-1,3(2h)-dione, 2-amino-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-, (3as,4s,7s,7ar)-

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC(C)[C@@]12CC[C@@](C=C1)([C@@H]3[C@H]2C(=O)N(C3=O)N)C
InChI
InChI=1S/C14H20N2O2/c1-8(2)14-6-4-13(3,5-7-14)9-10(14)12(18)16(15)11(9)17/h4,6,8-10H,5,7,15H2,1-3H3/t9-,10+,13-,14+/m1/s1
InChIKey
YZZSUYTYLPDKPY-QOBDMFJFSA-N
Compound name
(1S,2S,6R,7S)-4-amino-1-methyl-7-propan-2-yl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.15248 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 156.9
[M+Na]+ 271.14170 163.9
[M-H]- 247.14520 155.0
[M+NH4]+ 266.18630 183.0
[M+K]+ 287.11564 160.2
[M+H-H2O]+ 231.14974 151.8
[M+HCOO]- 293.15068 167.3
[M+CH3COO]- 307.16633 167.3
[M+Na-2H]- 269.12715 163.1
[M]+ 248.15193 158.1
[M]- 248.15303 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.