CID 14785668

Benzyl n-(2-hydroxycyclohexyl)carbamate

Structural Information

Molecular Formula
C14H19NO3
SMILES
C1CCC(C(C1)NC(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C14H19NO3/c16-13-9-5-4-8-12(13)15-14(17)18-10-11-6-2-1-3-7-11/h1-3,6-7,12-13,16H,4-5,8-10H2,(H,15,17)
InChIKey
IDQLGJJPYSFXPM-UHFFFAOYSA-N
Compound name
benzyl N-(2-hydroxycyclohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

249.13649 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 157.0
[M+Na]+ 272.12571 160.1
[M-H]- 248.12921 161.2
[M+NH4]+ 267.17031 172.6
[M+K]+ 288.09965 157.5
[M+H-H2O]+ 232.13375 149.4
[M+HCOO]- 294.13469 176.4
[M+CH3COO]- 308.15034 191.5
[M+Na-2H]- 270.11116 160.1
[M]+ 249.13594 152.4
[M]- 249.13704 152.4
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