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

1929
Patents

100.10005 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.10733 119.5
[M+Na]+ 123.08927 125.6
[M-H]- 99.092774 122.1
[M+NH4]+ 118.13387 143.4
[M+K]+ 139.06321 124.6
[M+H-H2O]+ 83.097310 114.2
[M+HCOO]- 145.09825 143.9
[M+CH3COO]- 159.11390 169.5
[M+Na-2H]- 121.07472 123.4
[M]+ 100.09950 112.5
[M]- 100.10060 112.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe