CID 77834

N-(3-chloropropyl)-n-methylformamide

Structural Information

Molecular Formula

C₅H₁₀ClNO

SMILES

CN(CCCCl)C=O

InChI

InChI=1S/C5H10ClNO/c1-7(5-8)4-2-3-6/h5H,2-4H2,1H3

InChIKey

PSSHCDKLHDMLPC-UHFFFAOYSA-N

Compound name

N-(3-chloropropyl)-N-methylformamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 135.04509 Da
Monoisotopic Mass: 0.7
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]+	136.052366	125.7
[M+Na]+	158.034308	133.7
[M-H]-	134.037814	127.4
[M+NH4]+	153.078913	148.8
[M+K]+	174.008248	132.7
[M+H-H2O]+	118.042350	121.8
[M+HCOO]-	180.043291	147.2
[M+CH3COO]-	194.058941	177.5
[M+Na-2H]-	156.019756	132.3
[M]+	135.04454142	129.6
[M]-	135.04563858	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe