CID 61136

1,3-butanediamine

Structural Information

Molecular Formula

C₄H₁₂N₂

SMILES

CC(CCN)N

InChI

InChI=1S/C4H12N2/c1-4(6)2-3-5/h4H,2-3,5-6H2,1H3

InChIKey

RGTXVXDNHPWPHH-UHFFFAOYSA-N

Compound name

butane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 7984
Patents: 88.10005 Da
Monoisotopic Mass: -0.9
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]+	89.107326	117.4
[M+Na]+	111.08927	125.8
[M+NH4]+	106.13387	125.6
[M+K]+	127.06321	121.4
[M-H]-	87.092774	118.0
[M+Na-2H]-	109.07472	121.1
[M]+	88.099501	118.4
[M]-	88.100599	118.4

Literature stripe

literature stripe

Patent stripe

patents stripe