CID 1264884

64269-12-1

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CCC(CC1)(C(=O)N)NC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O/c14-12(16)13(9-5-2-6-10-13)15-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H2,14,16)
InChIKey
MYHZOZJLNZBBGE-UHFFFAOYSA-N
Compound name
1-anilinocyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

218.1419 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 150.0
[M+Na]+ 241.131118 153.2
[M-H]- 217.134624 155.2
[M+NH4]+ 236.175723 168.7
[M+K]+ 257.105058 150.5
[M+H-H2O]+ 201.139160 142.9
[M+HCOO]- 263.140101 171.3
[M+CH3COO]- 277.155751 190.8
[M+Na-2H]- 239.116566 155.2
[M]+ 218.14135142 142.5
[M]- 218.14244858 142.5
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