CID 2760432

2-(1-piperazinyl)benzoic acid

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1CN(CCN1)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C11H14N2O2/c14-11(15)9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2,(H,14,15)
InChIKey
ZYLZQIMSYNAILC-UHFFFAOYSA-N
Compound name
2-piperazin-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

206.10553 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 146.4
[M+Na]+ 229.09475 151.2
[M-H]- 205.09825 146.8
[M+NH4]+ 224.13935 160.5
[M+K]+ 245.06869 147.5
[M+H-H2O]+ 189.10279 138.3
[M+HCOO]- 251.10373 161.4
[M+CH3COO]- 265.11938 179.6
[M+Na-2H]- 227.08020 150.3
[M]+ 206.10498 139.3
[M]- 206.10608 139.3
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