CID 157305

79637-74-4

Structural Information

Molecular Formula
C13H18O2
SMILES
C=CC(=O)OC1CCC2C1C3CCC2C3
InChI
InChI=1S/C13H18O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h2,8-11,13H,1,3-7H2
InChIKey
LSAQODYZOZWHRI-UHFFFAOYSA-N
Compound name
3-tricyclo[5.2.1.02,6]decanyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
Patents

206.13068 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 153.3
[M+Na]+ 229.119898 159.7
[M-H]- 205.123404 156.8
[M+NH4]+ 224.164503 180.0
[M+K]+ 245.093838 156.8
[M+H-H2O]+ 189.127940 149.9
[M+HCOO]- 251.128881 172.0
[M+CH3COO]- 265.144531 187.0
[M+Na-2H]- 227.105346 152.1
[M]+ 206.13013142 152.1
[M]- 206.13122858 152.1
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