CID 36150

32496-40-5

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₂

SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)OCC#C

InChI

InChI=1S/C11H10ClNO2/c1-3-6-15-11(14)13-10-7-9(12)5-4-8(10)2/h1,4-5,7H,6H2,2H3,(H,13,14)

InChIKey

VFRTXLLPFLJJGO-UHFFFAOYSA-N

Compound name

prop-2-ynyl N-(5-chloro-2-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.04001 Da
Monoisotopic Mass: 2.4
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]+	224.047286	148.0
[M+Na]+	246.029228	159.2
[M-H]-	222.032734	150.5
[M+NH4]+	241.073833	165.2
[M+K]+	262.003168	153.9
[M+H-H2O]+	206.037270	137.1
[M+HCOO]-	268.038211	162.8
[M+CH3COO]-	282.053861	196.6
[M+Na-2H]-	244.014676	151.4
[M]+	223.03946142	145.6
[M]-	223.04055858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.