CID 72640

127178-07-8

Structural Information

Molecular Formula
C8H14N2O4
SMILES
C1CN(CCN1CC(=O)O)CC(=O)O
InChI
InChI=1S/C8H14N2O4/c11-7(12)5-9-1-2-10(4-3-9)6-8(13)14/h1-6H2,(H,11,12)(H,13,14)
InChIKey
JERMFLFKXHHROS-UHFFFAOYSA-N
Compound name
2-[4-(carboxymethyl)piperazin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

138
Patents

202.09535 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10263 144.2
[M+Na]+ 225.08457 148.9
[M-H]- 201.08807 141.5
[M+NH4]+ 220.12917 158.7
[M+K]+ 241.05851 147.7
[M+H-H2O]+ 185.09261 137.2
[M+HCOO]- 247.09355 158.3
[M+CH3COO]- 261.10920 179.2
[M+Na-2H]- 223.07002 145.9
[M]+ 202.09480 140.2
[M]- 202.09590 140.2
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