CID 3042115

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

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CCOC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C
InChI
InChI=1S/C15H22N2O2/c1-3-19-15(18)17-10-8-16(9-11-17)12-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKey
UVUAQCJJHFPXAT-UHFFFAOYSA-N
Compound name
ethyl 4-[(4-methylphenyl)methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 168.8
[M-H]- 261.16084 166.7
[M+NH4]+ 280.20194 177.5
[M+K]+ 301.13128 165.9
[M+H-H2O]+ 245.16538 154.5
[M+HCOO]- 307.16632 180.4
[M+CH3COO]- 321.18197 196.4
[M+Na-2H]- 283.14279 165.7
[M]+ 262.16757 162.0
[M]- 262.16867 162.0
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

patents stripe