CID 2759308

124335-65-5

Structural Information

Molecular Formula
C8H16N2O3
SMILES
C1CN(CCN1CCO)CC(=O)O
InChI
InChI=1S/C8H16N2O3/c11-6-5-9-1-3-10(4-2-9)7-8(12)13/h11H,1-7H2,(H,12,13)
InChIKey
VCEKKKPFXABURR-UHFFFAOYSA-N
Compound name
2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

188.11609 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.123366 143.2
[M+Na]+ 211.105308 147.9
[M-H]- 187.108814 140.4
[M+NH4]+ 206.149913 158.5
[M+K]+ 227.079248 146.3
[M+H-H2O]+ 171.113350 136.2
[M+HCOO]- 233.114291 157.9
[M+CH3COO]- 247.129941 176.9
[M+Na-2H]- 209.090756 146.0
[M]+ 188.11554142 139.1
[M]- 188.11663858 139.1
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