CID 29887

19972-87-3

Structural Information

Molecular Formula

C₁₃H₁₇NO₃

SMILES

C1CCC(CC1)OC(=O)NC2=CC(=CC=C2)O

InChI

InChI=1S/C13H17NO3/c15-11-6-4-5-10(9-11)14-13(16)17-12-7-2-1-3-8-12/h4-6,9,12,15H,1-3,7-8H2,(H,14,16)

InChIKey

SXFNPPHBWKVAMV-UHFFFAOYSA-N

Compound name

cyclohexyl N-(3-hydroxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 235.12085 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.128126	152.5
[M+Na]+	258.110068	156.0
[M-H]-	234.113574	156.9
[M+NH4]+	253.154673	168.6
[M+K]+	274.084008	153.6
[M+H-H2O]+	218.118110	145.1
[M+HCOO]-	280.119051	172.3
[M+CH3COO]-	294.134701	188.5
[M+Na-2H]-	256.095516	156.1
[M]+	235.12030142	147.5
[M]-	235.12139858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe