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

26
Patents

168.12627 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 138.0
[M+Na]+ 191.11549 145.4
[M+NH4]+ 186.16009 146.2
[M+K]+ 207.08943 142.5
[M-H]- 167.11899 138.6
[M+Na-2H]- 189.10094 139.7
[M]+ 168.12572 138.7
[M]- 168.12682 138.7
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