CID 4179819

Piperazine-2,5-dicarboxylic acid dihydrochloride

Structural Information

Molecular Formula
C6H10N2O4
SMILES
C1C(NCC(N1)C(=O)O)C(=O)O
InChI
InChI=1S/C6H10N2O4/c9-5(10)3-1-7-4(2-8-3)6(11)12/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)
InChIKey
FBYDNPVPBDAFFV-UHFFFAOYSA-N
Compound name
piperazine-2,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

174.06406 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07134 137.2
[M+Na]+ 197.05328 141.8
[M-H]- 173.05678 132.0
[M+NH4]+ 192.09788 151.3
[M+K]+ 213.02722 139.4
[M+H-H2O]+ 157.06132 131.0
[M+HCOO]- 219.06226 148.9
[M+CH3COO]- 233.07791 168.5
[M+Na-2H]- 195.03873 138.8
[M]+ 174.06351 128.7
[M]- 174.06461 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe