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

16
Patents

218.1419 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 149.8
[M+Na]+ 241.131118 153.0
[M-H]- 217.134624 155.0
[M+NH4]+ 236.175723 166.8
[M+K]+ 257.105058 150.0
[M+H-H2O]+ 201.139160 142.3
[M+HCOO]- 263.140101 171.1
[M+CH3COO]- 277.155751 191.8
[M+Na-2H]- 239.116566 153.2
[M]+ 218.14135142 142.2
[M]- 218.14244858 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