CID 175477

73395-21-8

Structural Information

Molecular Formula
C12H18O2
SMILES
CCC(=O)OC1C2CC3C1C3(C2)CC
InChI
InChI=1S/C12H18O2/c1-3-9(13)14-11-7-5-8-10(11)12(8,4-2)6-7/h7-8,10-11H,3-6H2,1-2H3
InChIKey
FPRVVHKYFTWIGU-UHFFFAOYSA-N
Compound name
(1-ethyl-3-tricyclo[2.2.1.02,6]heptanyl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 139.6
[M+Na]+ 217.11990 148.7
[M+NH4]+ 212.16450 151.7
[M+K]+ 233.09384 147.9
[M-H]- 193.12340 144.8
[M+Na-2H]- 215.10535 140.6
[M]+ 194.13013 143.5
[M]- 194.13123 143.5
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.