CID 6912329

1-piperazinecarboxylic acid, 4-(3-phenyl-2-propenyl)-, ethyl ester, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CCOC(=O)N1CCN(CC1)C/C=C\C2=CC=CC=C2
InChI
InChI=1S/C16H22N2O2/c1-2-20-16(19)18-13-11-17(12-14-18)10-6-9-15-7-4-3-5-8-15/h3-9H,2,10-14H2,1H3/b9-6-
InChIKey
SDZFZKQYQJLNKE-TWGQIWQCSA-N
Compound name
ethyl 4-[(Z)-3-phenylprop-2-enyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 167.4
[M+Na]+ 297.15734 171.3
[M-H]- 273.16084 169.8
[M+NH4]+ 292.20194 180.3
[M+K]+ 313.13128 167.6
[M+H-H2O]+ 257.16538 157.7
[M+HCOO]- 319.16632 183.9
[M+CH3COO]- 333.18197 196.8
[M+Na-2H]- 295.14279 169.5
[M]+ 274.16757 164.8
[M]- 274.16867 164.8
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.