CID 139596720

[3-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate

Structural Information

Molecular Formula
C18H24O4
SMILES
C=CC(=O)OCC1(CCC2C1C3CCC2C3)COC(=O)C=C
InChI
InChI=1S/C18H24O4/c1-3-15(19)21-10-18(11-22-16(20)4-2)8-7-14-12-5-6-13(9-12)17(14)18/h3-4,12-14,17H,1-2,5-11H2
InChIKey
PZNDAFXCSGEOQT-UHFFFAOYSA-N
Compound name
[3-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

304.16745 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.174726 179.9
[M+Na]+ 327.156668 185.0
[M-H]- 303.160174 182.7
[M+NH4]+ 322.201273 204.2
[M+K]+ 343.130608 181.2
[M+H-H2O]+ 287.164710 176.7
[M+HCOO]- 349.165651 196.4
[M+CH3COO]- 363.181301 203.8
[M+Na-2H]- 325.142116 176.7
[M]+ 304.16690142 181.4
[M]- 304.16799858 181.4
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