CID 783157

1-piperazinecarboxylic acid, 4-((3-chlorophenyl)methyl)-, ethyl ester, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
CCOC(=O)N1CCN(CC1)CC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H19ClN2O2/c1-2-19-14(18)17-8-6-16(7-9-17)11-12-4-3-5-13(15)10-12/h3-5,10H,2,6-9,11H2,1H3
InChIKey
AJZRLDONDJGGOX-UHFFFAOYSA-N
Compound name
ethyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

282.1135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12078 164.3
[M+Na]+ 305.10272 177.4
[M+NH4]+ 300.14732 171.8
[M+K]+ 321.07666 170.0
[M-H]- 281.10622 166.8
[M+Na-2H]- 303.08817 170.7
[M]+ 282.11295 167.0
[M]- 282.11405 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.