CID 44828983

Methyl 4-(3-methylpiperazin-1-yl)benzoate

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC1CN(CCN1)C2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C13H18N2O2/c1-10-9-15(8-7-14-10)12-5-3-11(4-6-12)13(16)17-2/h3-6,10,14H,7-9H2,1-2H3
InChIKey
NHABNVYVQXLSEG-UHFFFAOYSA-N
Compound name
methyl 4-(3-methylpiperazin-1-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

234.13683 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 155.3
[M+Na]+ 257.12605 167.2
[M+NH4]+ 252.17065 162.4
[M+K]+ 273.09999 161.2
[M-H]- 233.12955 157.3
[M+Na-2H]- 255.11150 161.2
[M]+ 234.13628 157.3
[M]- 234.13738 157.3
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