CID 43521495

2-(4-((benzyloxy)carbonyl)piperazin-1-yl)acetic acid

Structural Information

Molecular Formula
C14H18N2O4
SMILES
C1CN(CCN1CC(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H18N2O4/c17-13(18)10-15-6-8-16(9-7-15)14(19)20-11-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,18)
InChIKey
STKKSISOELEKGJ-UHFFFAOYSA-N
Compound name
2-(4-phenylmethoxycarbonylpiperazin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

278.12665 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.133926 163.8
[M+Na]+ 301.115868 167.6
[M-H]- 277.119374 165.3
[M+NH4]+ 296.160473 175.5
[M+K]+ 317.089808 165.2
[M+H-H2O]+ 261.123910 154.6
[M+HCOO]- 323.124851 178.9
[M+CH3COO]- 337.140501 194.1
[M+Na-2H]- 299.101316 165.6
[M]+ 278.12610142 161.0
[M]- 278.12719858 161.0
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