CID 5175065

16801-62-0

Structural Information

Molecular Formula
C14H19NO3
SMILES
C1CC(CCC1NC(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C14H19NO3/c16-13-8-6-12(7-9-13)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,15,17)
InChIKey
JNPBKQOVSMBPGE-UHFFFAOYSA-N
Compound name
benzyl N-(4-hydroxycyclohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
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

literature stripe

Patent stripe

patents stripe