CID 10932975

Methyl 2-(piperazin-1-yl)benzoate

Structural Information

Molecular Formula
C12H16N2O2
SMILES
COC(=O)C1=CC=CC=C1N2CCNCC2
InChI
InChI=1S/C12H16N2O2/c1-16-12(15)10-4-2-3-5-11(10)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
InChIKey
XGNPSKXFPSPTDE-UHFFFAOYSA-N
Compound name
methyl 2-piperazin-1-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

220.12119 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 150.6
[M+Na]+ 243.11041 155.4
[M-H]- 219.11391 152.3
[M+NH4]+ 238.15501 165.0
[M+K]+ 259.08435 152.4
[M+H-H2O]+ 203.11845 142.0
[M+HCOO]- 265.11939 166.8
[M+CH3COO]- 279.13504 184.4
[M+Na-2H]- 241.09586 154.4
[M]+ 220.12064 145.6
[M]- 220.12174 145.6
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