CID 19107

Hercules 7522

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

CC(C)C1=C(C(=CC=C1)OC(=O)NC)Cl

InChI

InChI=1S/C11H14ClNO2/c1-7(2)8-5-4-6-9(10(8)12)15-11(14)13-3/h4-7H,1-3H3,(H,13,14)

InChIKey

OYQYZTQPLCFOSQ-UHFFFAOYSA-N

Compound name

(2-chloro-3-propan-2-ylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 2
Patents: 227.0713 Da
Monoisotopic Mass: 3.3
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]+	228.078576	148.5
[M+Na]+	250.060518	156.7
[M-H]-	226.064024	152.5
[M+NH4]+	245.105123	167.7
[M+K]+	266.034458	153.7
[M+H-H2O]+	210.068560	143.5
[M+HCOO]-	272.069501	167.6
[M+CH3COO]-	286.085151	191.9
[M+Na-2H]-	248.045966	151.6
[M]+	227.07075142	152.0
[M]-	227.07184858	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe