CID 48605

Iss 5040

Structural Information

Molecular Formula
C18H34N2O4
SMILES
CCCCC(=O)OCCN1CCN(CC1)CCOC(=O)CCCC
InChI
InChI=1S/C18H34N2O4/c1-3-5-7-17(21)23-15-13-19-9-11-20(12-10-19)14-16-24-18(22)8-6-4-2/h3-16H2,1-2H3
InChIKey
FCQNOYUQYUTYRK-UHFFFAOYSA-N
Compound name
2-[4-(2-pentanoyloxyethyl)piperazin-1-yl]ethyl pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.25186 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.25914 187.7
[M+Na]+ 365.24108 189.1
[M-H]- 341.24458 186.0
[M+NH4]+ 360.28568 198.1
[M+K]+ 381.21502 187.3
[M+H-H2O]+ 325.24912 178.4
[M+HCOO]- 387.25006 201.6
[M+CH3COO]- 401.26571 212.6
[M+Na-2H]- 363.22653 185.3
[M]+ 342.25131 191.0
[M]- 342.25241 191.0
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

No patent data available for this compound.