CID 89852

4-chloro-n,n-dimethylbutanamide

Structural Information

Molecular Formula

C₆H₁₂ClNO

SMILES

CN(C)C(=O)CCCCl

InChI

InChI=1S/C6H12ClNO/c1-8(2)6(9)4-3-5-7/h3-5H2,1-2H3

InChIKey

FYVXMHXMWHEEHI-UHFFFAOYSA-N

Compound name

4-chloro-N,N-dimethylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 149.06075 Da
Monoisotopic Mass: 0.6
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]+	150.06803	129.7
[M+Na]+	172.04997	140.3
[M+NH4]+	167.09457	138.1
[M+K]+	188.02391	134.6
[M-H]-	148.05347	130.0
[M+Na-2H]-	170.03542	134.0
[M]+	149.06020	131.4
[M]-	149.06130	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe