CID 10773150

Chloromethyl isopropylcarbamate

Structural Information

Molecular Formula

C₅H₁₀ClNO₂

SMILES

CC(C)NC(=O)OCCl

InChI

InChI=1S/C5H10ClNO2/c1-4(2)7-5(8)9-3-6/h4H,3H2,1-2H3,(H,7,8)

InChIKey

LKWVBNULHZTTAW-UHFFFAOYSA-N

Compound name

chloromethyl N-propan-2-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 151.04001 Da
Monoisotopic Mass: 1.4
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]+	152.047286	129.5
[M+Na]+	174.029228	137.0
[M-H]-	150.032734	130.1
[M+NH4]+	169.073833	151.4
[M+K]+	190.003168	136.1
[M+H-H2O]+	134.037270	125.9
[M+HCOO]-	196.038211	148.9
[M+CH3COO]-	210.053861	176.2
[M+Na-2H]-	172.014676	134.4
[M]+	151.03946142	132.2
[M]-	151.04055858	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe