CID 166421

73347-77-0

Structural Information

Molecular Formula
C12H18O2
SMILES
CCC(=O)OC1CC2CC1CC2=CC
InChI
InChI=1S/C12H18O2/c1-3-8-5-10-6-9(8)7-11(10)14-12(13)4-2/h3,9-11H,4-7H2,1-2H3
InChIKey
QSWOAKOMZJLMTM-UHFFFAOYSA-N
Compound name
(5-ethylidene-2-bicyclo[2.2.1]heptanyl) propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

194.13068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 146.2
[M+Na]+ 217.11990 154.1
[M+NH4]+ 212.16450 154.7
[M+K]+ 233.09384 151.9
[M-H]- 193.12340 145.7
[M+Na-2H]- 215.10535 146.1
[M]+ 194.13013 146.8
[M]- 194.13123 146.8
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.