CID 166422

73347-78-1

Structural Information

Molecular Formula
C12H18O2
SMILES
CCC(=O)OC1CC2CC1C(=CC)C2
InChI
InChI=1S/C12H18O2/c1-3-9-5-8-6-10(9)11(7-8)14-12(13)4-2/h3,8,10-11H,4-7H2,1-2H3
InChIKey
OIUKIGBGOYCJMK-UHFFFAOYSA-N
Compound name
(6-ethylidene-2-bicyclo[2.2.1]heptanyl) propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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 148.2
[M+Na]+ 217.11990 155.0
[M-H]- 193.12340 150.9
[M+NH4]+ 212.16450 173.1
[M+K]+ 233.09384 152.7
[M+H-H2O]+ 177.12794 144.2
[M+HCOO]- 239.12888 168.2
[M+CH3COO]- 253.14453 184.6
[M+Na-2H]- 215.10535 148.5
[M]+ 194.13013 148.4
[M]- 194.13123 148.4
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

No patent data available for this compound.