CID 12988583

Pyrrolidine-3,4-diamine trihydrochloride

Structural Information

Molecular Formula

C₄H₁₁N₃

SMILES

C1C(C(CN1)N)N

InChI

InChI=1S/C4H11N3/c5-3-1-7-2-4(3)6/h3-4,7H,1-2,5-6H2

InChIKey

WCOQAGPRGRKKLM-UHFFFAOYSA-N

Compound name

pyrrolidine-3,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 69
Patents: 101.0953 Da
Monoisotopic Mass: -2.2
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]+	102.10258	118.9
[M+Na]+	124.08452	126.3
[M+NH4]+	119.12912	126.9
[M+K]+	140.05846	124.2
[M-H]-	100.08802	119.9
[M+Na-2H]-	122.06997	122.4
[M]+	101.09475	119.6
[M]-	101.09585	119.6

Literature stripe

literature stripe

Patent stripe

patents stripe