CID 5058362

64172-98-1

Structural Information

Molecular Formula
C13H16N2O4
SMILES
C1CN(CC(N1)C(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H16N2O4/c16-12(17)11-8-15(7-6-14-11)13(18)19-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,16,17)
InChIKey
ARLOIFJEXPDJGV-UHFFFAOYSA-N
Compound name
4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

264.111 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11828 159.9
[M+Na]+ 287.10022 163.7
[M-H]- 263.10372 160.1
[M+NH4]+ 282.14482 171.4
[M+K]+ 303.07416 160.7
[M+H-H2O]+ 247.10826 151.2
[M+HCOO]- 309.10920 173.8
[M+CH3COO]- 323.12485 188.8
[M+Na-2H]- 285.08567 161.7
[M]+ 264.11045 154.9
[M]- 264.11155 154.9
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