CID 12577030

2-propenoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1h-indenyl ester

Structural Information

Molecular Formula
C13H16O2
SMILES
C=CC(=O)OC1CC2CC1C3C2C=CC3
InChI
InChI=1S/C13H16O2/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10/h2-4,8-12H,1,5-7H2
InChIKey
FUAUEJPEWIQMAI-UHFFFAOYSA-N
Compound name
8-tricyclo[5.2.1.02,6]dec-3-enyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

37
Patents

204.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.122316 151.5
[M+Na]+ 227.104258 158.8
[M-H]- 203.107764 155.4
[M+NH4]+ 222.148863 178.3
[M+K]+ 243.078198 155.8
[M+H-H2O]+ 187.112300 148.1
[M+HCOO]- 249.113241 171.7
[M+CH3COO]- 263.128891 186.6
[M+Na-2H]- 225.089706 151.2
[M]+ 204.11449142 151.7
[M]- 204.11558858 151.7
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