CID 18933503

Cyclopentane-1,3-diamine dihydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂

SMILES

C1CC(CC1N)N

InChI

InChI=1S/C5H12N2/c6-4-1-2-5(7)3-4/h4-5H,1-3,6-7H2

InChIKey

ZQWRZCZEOLZBQF-UHFFFAOYSA-N

Compound name

cyclopentane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1779
Patents: 100.10005 Da
Monoisotopic Mass: -0.7
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]+	101.10733	119.4
[M+Na]+	123.08927	127.5
[M+NH4]+	118.13387	128.5
[M+K]+	139.06321	124.5
[M-H]-	99.092774	121.8
[M+Na-2H]-	121.07472	123.7
[M]+	100.09950	120.8
[M]-	100.10060	120.8

Literature stripe

literature stripe

Patent stripe

patents stripe