CID 3686111

N-(benzyloxy)cyclohexanecarboxamide

Structural Information

Molecular Formula
C14H19NO2
SMILES
C1CCC(CC1)C(=O)NOCC2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c16-14(13-9-5-2-6-10-13)15-17-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16)
InChIKey
OKFYBNPULQFGII-UHFFFAOYSA-N
Compound name
N-phenylmethoxycyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

233.14159 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 153.7
[M+Na]+ 256.13081 156.2
[M-H]- 232.13431 158.9
[M+NH4]+ 251.17541 170.3
[M+K]+ 272.10475 153.9
[M+H-H2O]+ 216.13885 145.8
[M+HCOO]- 278.13979 174.4
[M+CH3COO]- 292.15544 191.3
[M+Na-2H]- 254.11626 157.9
[M]+ 233.14104 149.2
[M]- 233.14214 149.2
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