CID 48609

Iss 5045

Structural Information

Molecular Formula
C18H30N2O4
SMILES
C1CC(C1)C(=O)OCCN2CCN(CC2)CCOC(=O)C3CCC3
InChI
InChI=1S/C18H30N2O4/c21-17(15-3-1-4-15)23-13-11-19-7-9-20(10-8-19)12-14-24-18(22)16-5-2-6-16/h15-16H,1-14H2
InChIKey
BOOKQRCISYUOJS-UHFFFAOYSA-N
Compound name
2-[4-[2-(cyclobutanecarbonyloxy)ethyl]piperazin-1-yl]ethyl cyclobutanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.22055 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.22783 171.3
[M+Na]+ 361.20977 168.7
[M-H]- 337.21327 174.5
[M+NH4]+ 356.25437 168.3
[M+K]+ 377.18371 173.7
[M+H-H2O]+ 321.21781 151.8
[M+HCOO]- 383.21875 180.9
[M+CH3COO]- 397.23440 218.3
[M+Na-2H]- 359.19522 168.5
[M]+ 338.22000 184.6
[M]- 338.22110 184.6
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.