CID 9793885

4-(aminomethyl)cyclohexane-1-carboxamide hydrochloride

Structural Information

Molecular Formula
C8H16N2O
SMILES
C1CC(CCC1CN)C(=O)N
InChI
InChI=1S/C8H16N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H2,10,11)
InChIKey
RSILLSRLAWUTAY-UHFFFAOYSA-N
Compound name
4-(aminomethyl)cyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

156.12627 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.133546 135.5
[M+Na]+ 179.115488 139.5
[M-H]- 155.118994 137.3
[M+NH4]+ 174.160093 155.1
[M+K]+ 195.089428 138.1
[M+H-H2O]+ 139.123530 129.6
[M+HCOO]- 201.124471 156.2
[M+CH3COO]- 215.140121 181.0
[M+Na-2H]- 177.100936 137.7
[M]+ 156.12572142 127.6
[M]- 156.12681858 127.6
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

patents stripe