CID 4770

Phenprobamate

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1=CC=C(C=C1)CCCOC(=O)N

InChI

InChI=1S/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)

InChIKey

CAMYKONBWHRPDD-UHFFFAOYSA-N

Compound name

3-phenylpropyl carbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 35
References: 10524
Patents: 179.09464 Da
Monoisotopic Mass: 2.0
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]+	180.10192	139.0
[M+Na]+	202.08386	145.1
[M-H]-	178.08736	141.8
[M+NH4]+	197.12846	158.3
[M+K]+	218.05780	143.4
[M+H-H2O]+	162.09190	132.6
[M+HCOO]-	224.09284	163.3
[M+CH3COO]-	238.10849	181.8
[M+Na-2H]-	200.06931	144.6
[M]+	179.09409	138.9
[M]-	179.09519	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe