CID 3087248

1-(4-cyclopentylphenyl)-4-(2-hydroxybutyl)piperazine maleate

Structural Information

Molecular Formula
C19H30N2O
SMILES
CCOCCN1CCN(CC1)C2=CC=CC=C2C3CCCC3
InChI
InChI=1S/C19H30N2O/c1-2-22-16-15-20-11-13-21(14-12-20)19-10-6-5-9-18(19)17-7-3-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3
InChIKey
RSTVNKZFGMRPSV-UHFFFAOYSA-N
Compound name
1-(2-cyclopentylphenyl)-4-(2-ethoxyethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.2358 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.24308 176.9
[M+Na]+ 325.22502 179.0
[M-H]- 301.22852 181.7
[M+NH4]+ 320.26962 190.1
[M+K]+ 341.19896 174.7
[M+H-H2O]+ 285.23306 166.2
[M+HCOO]- 347.23400 191.9
[M+CH3COO]- 361.24965 204.0
[M+Na-2H]- 323.21047 175.1
[M]+ 302.23525 171.7
[M]- 302.23635 171.7
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.