CID 200872

Cyclohexanecarboxamide, 1-phenyl-

Structural Information

Molecular Formula
C13H17NO
SMILES
C1CCC(CC1)(C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C13H17NO/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,14,15)
InChIKey
RKNUEXASLVLVSL-UHFFFAOYSA-N
Compound name
1-phenylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

203.13101 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 147.3
[M+Na]+ 226.12023 151.4
[M-H]- 202.12373 152.6
[M+NH4]+ 221.16483 167.0
[M+K]+ 242.09417 148.6
[M+H-H2O]+ 186.12827 140.5
[M+HCOO]- 248.12921 167.5
[M+CH3COO]- 262.14486 185.8
[M+Na-2H]- 224.10568 151.9
[M]+ 203.13046 140.4
[M]- 203.13156 140.4
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