CID 1120459

2-(4-methylpiperazin-1-yl)benzoic acid

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CN1CCN(CC1)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12(15)16/h2-5H,6-9H2,1H3,(H,15,16)
InChIKey
WKGFDTBUUBBWJZ-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

220.12119 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 150.7
[M+Na]+ 243.11041 162.8
[M+NH4]+ 238.15501 157.9
[M+K]+ 259.08435 157.0
[M-H]- 219.11391 152.7
[M+Na-2H]- 241.09586 156.8
[M]+ 220.12064 152.7
[M]- 220.12174 152.7
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