CID 13755479

Octahydro-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C9H16N2O
SMILES
C1CCC2C(C1)CC(N2)C(=O)N
InChI
InChI=1S/C9H16N2O/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h6-8,11H,1-5H2,(H2,10,12)
InChIKey
LGNJUPFFTXYXON-UHFFFAOYSA-N
Compound name
2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

168.12627 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.133546 138.4
[M+Na]+ 191.115488 142.6
[M-H]- 167.118994 138.5
[M+NH4]+ 186.160093 158.7
[M+K]+ 207.089428 139.9
[M+H-H2O]+ 151.123530 132.2
[M+HCOO]- 213.124471 154.7
[M+CH3COO]- 227.140121 177.6
[M+Na-2H]- 189.100936 140.1
[M]+ 168.12572142 129.4
[M]- 168.12681858 129.4
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

patents stripe