CID 16724128

Amino(pentamethyl)[?]dione

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC1[C@@]2([C@@H]3[C@H]([C@]1(C(=C2C)C)C)C(=O)N(C3=O)N)C
InChI
InChI=1S/C14H20N2O2/c1-6-7(2)14(5)8(3)13(6,4)9-10(14)12(18)16(15)11(9)17/h8-10H,15H2,1-5H3/t8?,9-,10+,13-,14+
InChIKey
ZAVIKWNCQRASNX-HUUCOAIWSA-N
Compound name
(1R,2S,6R,7S)-4-amino-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.15248 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 154.2
[M+Na]+ 271.14170 166.9
[M-H]- 247.14520 158.3
[M+NH4]+ 266.18630 182.9
[M+K]+ 287.11564 162.5
[M+H-H2O]+ 231.14974 152.6
[M+HCOO]- 293.15068 174.0
[M+CH3COO]- 307.16633 201.5
[M+Na-2H]- 269.12715 154.6
[M]+ 248.15193 157.2
[M]- 248.15303 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.