CID 136362

Butane-2,3-diamine dihydrochloride

Structural Information

Molecular Formula

C₄H₁₂N₂

SMILES

CC(C(C)N)N

InChI

InChI=1S/C4H12N2/c1-3(5)4(2)6/h3-4H,5-6H2,1-2H3

InChIKey

GHWVXCQZPNWFRO-UHFFFAOYSA-N

Compound name

butane-2,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 10437
Patents: 88.10005 Da
Monoisotopic Mass: -0.8
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	118.2
[M+Na]+	111.08927	126.3
[M+NH4]+	106.13387	126.3
[M+K]+	127.06321	122.7
[M-H]-	87.092774	118.6
[M+Na-2H]-	109.07472	121.5
[M]+	88.099501	119.0
[M]-	88.100599	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe