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

159
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

No literature data available for this compound.

Patent stripe

patents stripe