CID 3085920

73003-78-8

Structural Information

Molecular Formula
C21H33NO6
SMILES
CCC(COC(=O)CCN1CCCCCC1)(COC(=O)C=C)COC(=O)C=C
InChI
InChI=1S/C21H33NO6/c1-4-18(23)26-15-21(6-3,16-27-19(24)5-2)17-28-20(25)11-14-22-12-9-7-8-10-13-22/h4-5H,1-2,6-17H2,3H3
InChIKey
HZGOAUDVKRQMPN-UHFFFAOYSA-N
Compound name
2,2-bis(prop-2-enoyloxymethyl)butyl 3-(azepan-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

395.23077 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.23805 191.1
[M+Na]+ 418.21999 194.0
[M+NH4]+ 413.26459 192.4
[M+K]+ 434.19393 192.4
[M-H]- 394.22349 187.0
[M+Na-2H]- 416.20544 189.8
[M]+ 395.23022 189.6
[M]- 395.23132 189.6
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

patents stripe