CID 4056004

N-(4-hydroxyphenyl)cyclohexanecarboxamide

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CCC(CC1)C(=O)NC2=CC=C(C=C2)O
InChI
InChI=1S/C13H17NO2/c15-12-8-6-11(7-9-12)14-13(16)10-4-2-1-3-5-10/h6-10,15H,1-5H2,(H,14,16)
InChIKey
SPELRQCTCINJTP-UHFFFAOYSA-N
Compound name
N-(4-hydroxyphenyl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

219.12593 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 149.4
[M+Na]+ 242.11515 152.9
[M-H]- 218.11865 153.8
[M+NH4]+ 237.15975 166.2
[M+K]+ 258.08909 150.0
[M+H-H2O]+ 202.12319 142.3
[M+HCOO]- 264.12413 169.0
[M+CH3COO]- 278.13978 187.0
[M+Na-2H]- 240.10060 153.0
[M]+ 219.12538 143.1
[M]- 219.12648 143.1
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