CID 151733

1,4-diamino-2-butanone dihydrochloride

Structural Information

Molecular Formula

C₄H₁₀N₂O

SMILES

C(CN)C(=O)CN

InChI

InChI=1S/C4H10N2O/c5-2-1-4(7)3-6/h1-3,5-6H2

InChIKey

ODANWMOQWMHGCY-UHFFFAOYSA-N

Compound name

1,4-diaminobutan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 40
References: 264
Patents: 102.079315 Da
Monoisotopic Mass: -2.0
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]+	103.086591	120.5
[M+Na]+	125.068533	126.9
[M-H]-	101.072039	120.0
[M+NH4]+	120.113138	142.5
[M+K]+	141.042473	126.7
[M+H-H2O]+	85.076575	115.5
[M+HCOO]-	147.077516	145.1
[M+CH3COO]-	161.093166	171.3
[M+Na-2H]-	123.053981	125.6
[M]+	102.07876642	117.4
[M]-	102.07986358	117.4

Literature stripe

literature stripe

Patent stripe

patents stripe