CID 16772854

N-(3-aminophenyl)cyclohexanecarboxamide

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CCC(CC1)C(=O)NC2=CC=CC(=C2)N
InChI
InChI=1S/C13H18N2O/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6,14H2,(H,15,16)
InChIKey
LUBKHQVZKMSXIE-UHFFFAOYSA-N
Compound name
N-(3-aminophenyl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

218.1419 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 149.8
[M+Na]+ 241.13112 153.0
[M-H]- 217.13462 155.0
[M+NH4]+ 236.17572 166.8
[M+K]+ 257.10506 150.0
[M+H-H2O]+ 201.13916 142.3
[M+HCOO]- 263.14010 171.1
[M+CH3COO]- 277.15575 191.8
[M+Na-2H]- 239.11657 153.2
[M]+ 218.14135 142.2
[M]- 218.14245 142.2
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