CID 82380907

1824247-34-8

Structural Information

Molecular Formula
C14H26N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CCCC(C2C1)CN
InChI
InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-11-6-4-5-10(7-15)12(11)9-16/h10-12H,4-9,15H2,1-3H3
InChIKey
ATFHYPICLWVHFR-UHFFFAOYSA-N
Compound name
tert-butyl 4-(aminomethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.19943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.20671 164.3
[M+Na]+ 277.18865 168.2
[M-H]- 253.19215 165.7
[M+NH4]+ 272.23325 182.5
[M+K]+ 293.16259 166.3
[M+H-H2O]+ 237.19669 158.2
[M+HCOO]- 299.19763 179.0
[M+CH3COO]- 313.21328 196.9
[M+Na-2H]- 275.17410 164.3
[M]+ 254.19888 160.1
[M]- 254.19998 160.1
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.