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

29
Patents

186.10045 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.107726 141.2
[M+Na]+ 209.089668 146.5
[M-H]- 185.093174 140.0
[M+NH4]+ 204.134273 157.3
[M+K]+ 225.063608 145.7
[M+H-H2O]+ 169.097710 134.2
[M+HCOO]- 231.098651 156.7
[M+CH3COO]- 245.114301 178.8
[M+Na-2H]- 207.075116 143.4
[M]+ 186.09990142 137.6
[M]- 186.10099858 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