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

9
Patents

278.12665 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 163.8
[M+Na]+ 301.11587 167.6
[M-H]- 277.11937 165.3
[M+NH4]+ 296.16047 175.5
[M+K]+ 317.08981 165.2
[M+H-H2O]+ 261.12391 154.6
[M+HCOO]- 323.12485 178.9
[M+CH3COO]- 337.14050 194.1
[M+Na-2H]- 299.10132 165.6
[M]+ 278.12610 161.0
[M]- 278.12720 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