CID 15087690

4-(dimethylamino)butanoyl chloride hydrochloride

Structural Information

Molecular Formula

C₆H₁₂ClNO

SMILES

CN(C)CCCC(=O)Cl

InChI

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

InChIKey

LRGHHVXWOZHPJF-UHFFFAOYSA-N

Compound name

4-(dimethylamino)butanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 213
Patents: 149.06075 Da
Monoisotopic Mass: 1.1
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	130.6
[M+Na]+	172.04997	137.9
[M-H]-	148.05347	132.3
[M+NH4]+	167.09457	153.1
[M+K]+	188.02391	137.1
[M+H-H2O]+	132.05801	126.6
[M+HCOO]-	194.05895	150.8
[M+CH3COO]-	208.07460	181.3
[M+Na-2H]-	170.03542	135.4
[M]+	149.06020	134.2
[M]-	149.06130	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe