CID 48611

Iss 5046

Structural Information

Molecular Formula
C20H34N2O4
SMILES
C1CCC(C1)C(=O)OCCN2CCN(CC2)CCOC(=O)C3CCCC3
InChI
InChI=1S/C20H34N2O4/c23-19(17-5-1-2-6-17)25-15-13-21-9-11-22(12-10-21)14-16-26-20(24)18-7-3-4-8-18/h17-18H,1-16H2
InChIKey
BRWYWFNFSYKYOQ-UHFFFAOYSA-N
Compound name
2-[4-[2-(cyclopentanecarbonyloxy)ethyl]piperazin-1-yl]ethyl cyclopentanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.25186 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.25914 193.0
[M+Na]+ 389.24108 191.2
[M-H]- 365.24458 197.1
[M+NH4]+ 384.28568 204.6
[M+K]+ 405.21502 189.4
[M+H-H2O]+ 349.24912 183.1
[M+HCOO]- 411.25006 204.6
[M+CH3COO]- 425.26571 211.7
[M+Na-2H]- 387.22653 185.1
[M]+ 366.25131 187.4
[M]- 366.25241 187.4
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.