CID 650402

37478-58-3

Structural Information

Molecular Formula
C6H12N2O2
SMILES
C1CN(CCN1)CC(=O)O
InChI
InChI=1S/C6H12N2O2/c9-6(10)5-8-3-1-7-2-4-8/h7H,1-5H2,(H,9,10)
InChIKey
WRJZKSHNBALIGH-UHFFFAOYSA-N
Compound name
2-piperazin-1-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1624
Patents

144.08987 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 131.9
[M+Na]+ 167.079088 136.6
[M-H]- 143.082594 129.1
[M+NH4]+ 162.123693 148.7
[M+K]+ 183.053028 135.0
[M+H-H2O]+ 127.087130 125.2
[M+HCOO]- 189.088071 147.1
[M+CH3COO]- 203.103721 167.5
[M+Na-2H]- 165.064536 136.4
[M]+ 144.08932142 125.2
[M]- 144.09041858 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