CID 44150458

Einecs 299-602-6

Structural Information

Molecular Formula
C17H24O4
SMILES
CC(=O)OCC1(CCC2C1C3CCC2C3)COC(=O)C=C
InChI
InChI=1S/C17H24O4/c1-3-15(19)21-10-17(9-20-11(2)18)7-6-14-12-4-5-13(8-12)16(14)17/h3,12-14,16H,1,4-10H2,2H3
InChIKey
OVFUMSCEVVSWKQ-UHFFFAOYSA-N
Compound name
[3-(acetyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.16745 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 172.4
[M+Na]+ 315.15667 176.9
[M+NH4]+ 310.20127 180.7
[M+K]+ 331.13061 175.8
[M-H]- 291.16017 170.2
[M+Na-2H]- 313.14212 170.0
[M]+ 292.16690 171.9
[M]- 292.16800 171.9
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.