CID 12973

N,n-dimethylbutyramide

Structural Information

Molecular Formula

SMILES

CCCC(=O)N(C)C

InChI

InChI=1S/C6H13NO/c1-4-5-6(8)7(2)3/h4-5H2,1-3H3

InChIKey

VIJUZNJJLALGNJ-UHFFFAOYSA-N

Compound name

N,N-dimethylbutanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2876
Patents: 115.09972 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]+	116.106996	124.8
[M+Na]+	138.088938	131.5
[M-H]-	114.092444	126.7
[M+NH4]+	133.133543	148.0
[M+K]+	154.062878	133.0
[M+H-H2O]+	98.096980	120.0
[M+HCOO]-	160.097921	149.6
[M+CH3COO]-	174.113571	176.8
[M+Na-2H]-	136.074386	130.1
[M]+	115.09917142	126.5
[M]-	115.10026858	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe