CID 2051411

717904-36-4

Structural Information

Molecular Formula
C7H12N2O3
SMILES
CN1CCN(CC1)C(=O)C(=O)O
InChI
InChI=1S/C7H12N2O3/c1-8-2-4-9(5-3-8)6(10)7(11)12/h2-5H2,1H3,(H,11,12)
InChIKey
QRHXDMKVURFNSW-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

172.0848 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09208 136.9
[M+Na]+ 195.07402 142.8
[M-H]- 171.07752 136.0
[M+NH4]+ 190.11862 153.7
[M+K]+ 211.04796 142.2
[M+H-H2O]+ 155.08206 130.2
[M+HCOO]- 217.08300 152.7
[M+CH3COO]- 231.09865 175.1
[M+Na-2H]- 193.05947 139.6
[M]+ 172.08425 132.9
[M]- 172.08535 132.9
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

patents stripe