CID 124572

4,5-diaminopentanoic acid dihydrochloride

Structural Information

Molecular Formula
C5H12N2O2
SMILES
C(CC(=O)O)C(CN)N
InChI
InChI=1S/C5H12N2O2/c6-3-4(7)1-2-5(8)9/h4H,1-3,6-7H2,(H,8,9)
InChIKey
PQGAAJQIFBEYSA-UHFFFAOYSA-N
Compound name
4,5-diaminopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

272
Patents

132.08987 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.097146 129.1
[M+Na]+ 155.079088 134.4
[M-H]- 131.082594 127.0
[M+NH4]+ 150.123693 149.0
[M+K]+ 171.053028 133.9
[M+H-H2O]+ 115.087130 123.9
[M+HCOO]- 177.088071 151.1
[M+CH3COO]- 191.103721 174.9
[M+Na-2H]- 153.064536 131.7
[M]+ 132.08932142 125.2
[M]- 132.09041858 125.2
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