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]+ 293.174726 176.4
[M+Na]+ 315.156668 181.7
[M-H]- 291.160174 179.4
[M+NH4]+ 310.201273 201.3
[M+K]+ 331.130608 178.7
[M+H-H2O]+ 275.164710 173.4
[M+HCOO]- 337.165651 193.1
[M+CH3COO]- 351.181301 201.7
[M+Na-2H]- 313.142116 173.7
[M]+ 292.16690142 178.2
[M]- 292.16799858 178.2
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.