CID 12681864

38955-43-0

Structural Information

Molecular Formula

SMILES

CC(C)NC(=O)Cl

InChI

InChI=1S/C4H8ClNO/c1-3(2)6-4(5)7/h3H,1-2H3,(H,6,7)

InChIKey

MFPXPCGVNXPRLZ-UHFFFAOYSA-N

Compound name

N-propan-2-ylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 121.02944 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]+	122.03672	121.3
[M+Na]+	144.01866	131.7
[M+NH4]+	139.06326	129.7
[M+K]+	159.99260	126.8
[M-H]-	120.02216	121.1
[M+Na-2H]-	142.00411	125.5
[M]+	121.02889	122.7
[M]-	121.02999	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe