CID 48607

Iss 5044

Structural Information

Molecular Formula
C16H26N2O4
SMILES
C1CC1C(=O)OCCN2CCN(CC2)CCOC(=O)C3CC3
InChI
InChI=1S/C16H26N2O4/c19-15(13-1-2-13)21-11-9-17-5-7-18(8-6-17)10-12-22-16(20)14-3-4-14/h13-14H,1-12H2
InChIKey
FOIPWUZJJSHOQI-UHFFFAOYSA-N
Compound name
2-[4-[2-(cyclopropanecarbonyloxy)ethyl]piperazin-1-yl]ethyl cyclopropanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.18927 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.19655 189.5
[M+Na]+ 333.17849 193.0
[M-H]- 309.18199 194.7
[M+NH4]+ 328.22309 190.7
[M+K]+ 349.15243 190.0
[M+H-H2O]+ 293.18653 181.0
[M+HCOO]- 355.18747 202.7
[M+CH3COO]- 369.20312 212.7
[M+Na-2H]- 331.16394 186.4
[M]+ 310.18872 192.7
[M]- 310.18982 192.7
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.