CID 3042112

1-piperazinecarboxylic acid, 4-((2-methylphenyl)methyl)-, ethyl ester, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CCOC(=O)N1CCN(CC1)CC2=CC=CC=C2C
InChI
InChI=1S/C15H22N2O2/c1-3-19-15(18)17-10-8-16(9-11-17)12-14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3
InChIKey
IRYAWURQYFDMRH-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-methylphenyl)methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 163.8
[M+Na]+ 285.15734 175.9
[M+NH4]+ 280.20194 170.9
[M+K]+ 301.13128 169.1
[M-H]- 261.16084 166.2
[M+Na-2H]- 283.14279 169.8
[M]+ 262.16757 166.0
[M]- 262.16867 166.0
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.