CID 782702

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

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CCOC(=O)N1CCN(CC1)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H22N2O3/c1-3-20-15(18)17-10-8-16(9-11-17)12-13-4-6-14(19-2)7-5-13/h4-7H,3,8-12H2,1-2H3
InChIKey
VUBGZIROYCJGOB-UHFFFAOYSA-N
Compound name
ethyl 4-[(4-methoxyphenyl)methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

278.16306 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.170336 166.6
[M+Na]+ 301.152278 171.4
[M-H]- 277.155784 169.5
[M+NH4]+ 296.196883 179.6
[M+K]+ 317.126218 169.2
[M+H-H2O]+ 261.160320 157.1
[M+HCOO]- 323.161261 183.5
[M+CH3COO]- 337.176911 198.5
[M+Na-2H]- 299.137726 168.6
[M]+ 278.16251142 166.3
[M]- 278.16360858 166.3
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.