CID 46430

3-dimethylaminobutyramide hydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

CC(CC(=O)N)N(C)C

InChI

InChI=1S/C6H14N2O/c1-5(8(2)3)4-6(7)9/h5H,4H2,1-3H3,(H2,7,9)

InChIKey

JOQZXBKWLBRCCT-UHFFFAOYSA-N

Compound name

3-(dimethylamino)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 130.11061 Da
Monoisotopic Mass: -0.5
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]+	131.11789	130.1
[M+Na]+	153.09983	135.6
[M-H]-	129.10333	131.5
[M+NH4]+	148.14443	151.9
[M+K]+	169.07377	137.2
[M+H-H2O]+	113.10787	124.7
[M+HCOO]-	175.10881	154.2
[M+CH3COO]-	189.12446	182.5
[M+Na-2H]-	151.08528	133.1
[M]+	130.11006	129.4
[M]-	130.11116	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe