CID 28533671

3-(3-oxopiperazin-1-yl)propanoic acid

Structural Information

Molecular Formula
C7H12N2O3
SMILES
C1CN(CC(=O)N1)CCC(=O)O
InChI
InChI=1S/C7H12N2O3/c10-6-5-9(4-2-8-6)3-1-7(11)12/h1-5H2,(H,8,10)(H,11,12)
InChIKey
MEPQLYCZCYIEQT-UHFFFAOYSA-N
Compound name
3-(3-oxopiperazin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0848 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09208 137.9
[M+Na]+ 195.07402 146.6
[M+NH4]+ 190.11862 143.4
[M+K]+ 211.04796 143.0
[M-H]- 171.07752 135.8
[M+Na-2H]- 193.05947 140.0
[M]+ 172.08425 137.9
[M]- 172.08535 137.9
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

No patent data available for this compound.