CID 2051413

318280-11-4

Structural Information

Molecular Formula
C8H14N2O3
SMILES
CN1CCN(CC1)C(=O)CC(=O)O
InChI
InChI=1S/C8H14N2O3/c1-9-2-4-10(5-3-9)7(11)6-8(12)13/h2-6H2,1H3,(H,12,13)
InChIKey
FGKIJORVCGGTTG-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

186.10045 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.10773 141.2
[M+Na]+ 209.08967 146.5
[M-H]- 185.09317 140.0
[M+NH4]+ 204.13427 157.3
[M+K]+ 225.06361 145.7
[M+H-H2O]+ 169.09771 134.2
[M+HCOO]- 231.09865 156.7
[M+CH3COO]- 245.11430 178.8
[M+Na-2H]- 207.07512 143.4
[M]+ 186.09990 137.6
[M]- 186.10100 137.6
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