CID 16777295

N-[3-(aminomethyl)phenyl]cyclohexanecarboxamide hydrochloride

Structural Information

Molecular Formula
C14H20N2O
SMILES
C1CCC(CC1)C(=O)NC2=CC=CC(=C2)CN
InChI
InChI=1S/C14H20N2O/c15-10-11-5-4-8-13(9-11)16-14(17)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10,15H2,(H,16,17)
InChIKey
OUEYQGRNUFTRME-UHFFFAOYSA-N
Compound name
N-[3-(aminomethyl)phenyl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

232.15756 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.164836 154.3
[M+Na]+ 255.146778 157.1
[M-H]- 231.150284 159.3
[M+NH4]+ 250.191383 170.7
[M+K]+ 271.120718 153.8
[M+H-H2O]+ 215.154820 146.5
[M+HCOO]- 277.155761 175.2
[M+CH3COO]- 291.171411 194.8
[M+Na-2H]- 253.132226 157.2
[M]+ 232.15701142 147.0
[M]- 232.15810858 147.0
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