CID 280973

90084-49-4

Structural Information

Molecular Formula
C6H10N2O4
SMILES
C1CNC(C(N1)C(=O)O)C(=O)O
InChI
InChI=1S/C6H10N2O4/c9-5(10)3-4(6(11)12)8-2-1-7-3/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)
InChIKey
ZLSOKZQPVJYNKB-UHFFFAOYSA-N
Compound name
piperazine-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

145
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

literature stripe

Patent stripe

patents stripe