CID 131677207

Methyl 3-(piperazin-2-yl)benzoate

Structural Information

Molecular Formula
C12H16N2O2
SMILES
COC(=O)C1=CC=CC(=C1)C2CNCCN2
InChI
InChI=1S/C12H16N2O2/c1-16-12(15)10-4-2-3-9(7-10)11-8-13-5-6-14-11/h2-4,7,11,13-14H,5-6,8H2,1H3
InChIKey
RGFXYKVXYJYUFP-UHFFFAOYSA-N
Compound name
methyl 3-piperazin-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 151.1
[M+Na]+ 243.11041 155.6
[M-H]- 219.11391 151.4
[M+NH4]+ 238.15501 164.8
[M+K]+ 259.08435 151.6
[M+H-H2O]+ 203.11845 142.8
[M+HCOO]- 265.11939 165.8
[M+CH3COO]- 279.13504 181.9
[M+Na-2H]- 241.09586 154.4
[M]+ 220.12064 144.3
[M]- 220.12174 144.3
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

No patent data available for this compound.