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

146
Patents

144.08987 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 132.8
[M+Na]+ 167.079088 137.0
[M-H]- 143.082594 128.5
[M+NH4]+ 162.123693 148.8
[M+K]+ 183.053028 134.5
[M+H-H2O]+ 127.087130 126.3
[M+HCOO]- 189.088071 146.4
[M+CH3COO]- 203.103721 165.1
[M+Na-2H]- 165.064536 136.7
[M]+ 144.08932142 124.1
[M]- 144.09041858 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