CID 12015092

2-phenyl-2-(piperazin-1-yl)acetic acid

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1CN(CCN1)C(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H16N2O2/c15-12(16)11(10-4-2-1-3-5-10)14-8-6-13-7-9-14/h1-5,11,13H,6-9H2,(H,15,16)
InChIKey
BGORWWYTHPSHCC-UHFFFAOYSA-N
Compound name
2-phenyl-2-piperazin-1-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

220.12119 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 150.6
[M+Na]+ 243.11041 153.7
[M-H]- 219.11391 150.6
[M+NH4]+ 238.15501 163.8
[M+K]+ 259.08435 150.3
[M+H-H2O]+ 203.11845 142.2
[M+HCOO]- 265.11939 164.3
[M+CH3COO]- 279.13504 182.4
[M+Na-2H]- 241.09586 153.5
[M]+ 220.12064 142.9
[M]- 220.12174 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe