CID 129819

2-propenoic acid, 2-methyl-, 2-((3a,4,5,6,7,7a-hexahydro-4,7-methano-1h-indenyl)oxy)ethyl ester

Structural Information

Molecular Formula
C16H22O3
SMILES
CC(=C)C(=O)OCCOC1C=CC2C1C3CCC2C3
InChI
InChI=1S/C16H22O3/c1-10(2)16(17)19-8-7-18-14-6-5-13-11-3-4-12(9-11)15(13)14/h5-6,11-15H,1,3-4,7-9H2,2H3
InChIKey
ULPUFTCUHBFSOE-UHFFFAOYSA-N
Compound name
2-(3-tricyclo[5.2.1.02,6]dec-4-enyloxy)ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

262.1569 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16418 169.1
[M+Na]+ 285.14612 174.6
[M-H]- 261.14962 172.5
[M+NH4]+ 280.19072 193.4
[M+K]+ 301.12006 172.0
[M+H-H2O]+ 245.15416 165.4
[M+HCOO]- 307.15510 187.4
[M+CH3COO]- 321.17075 198.2
[M+Na-2H]- 283.13157 166.3
[M]+ 262.15635 171.1
[M]- 262.15745 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe