CID 6918474

Carisbamate

Structural Information

Molecular Formula

C₉H₁₀ClNO₃

SMILES

C1=CC=C(C(=C1)[C@@H](COC(=O)N)O)Cl

InChI

InChI=1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m1/s1

InChIKey

OLBWFRRUHYQABZ-MRVPVSSYSA-N

Compound name

[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 64
References: 605
Patents: 215.03493 Da
Monoisotopic Mass: 1.0
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]+	216.04221	142.9
[M+Na]+	238.02415	153.8
[M+NH4]+	233.06875	150.1
[M+K]+	253.99809	149.2
[M-H]-	214.02765	143.7
[M+Na-2H]-	236.00960	147.9
[M]+	215.03438	144.6
[M]-	215.03548	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe