CID 17825431

2-piperazine acetic acid

Structural Information

Molecular Formula
C6H12N2O2
SMILES
C1CNC(CN1)CC(=O)O
InChI
InChI=1S/C6H12N2O2/c9-6(10)3-5-4-7-1-2-8-5/h5,7-8H,1-4H2,(H,9,10)
InChIKey
VGEOCVZKPBSYQC-UHFFFAOYSA-N
Compound name
2-piperazin-2-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

144.08987 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.09715 132.8
[M+Na]+ 167.07909 137.0
[M-H]- 143.08259 128.5
[M+NH4]+ 162.12369 148.8
[M+K]+ 183.05303 134.5
[M+H-H2O]+ 127.08713 126.3
[M+HCOO]- 189.08807 146.4
[M+CH3COO]- 203.10372 165.1
[M+Na-2H]- 165.06454 136.7
[M]+ 144.08932 124.1
[M]- 144.09042 124.1
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