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]+ 195.137956 144.8
[M+Na]+ 217.119898 154.3
[M-H]- 193.123404 147.2
[M+NH4]+ 212.164503 170.4
[M+K]+ 233.093838 150.0
[M+H-H2O]+ 177.127940 142.6
[M+HCOO]- 239.128881 160.9
[M+CH3COO]- 253.144531 157.6
[M+Na-2H]- 215.105346 149.2
[M]+ 194.13013142 154.9
[M]- 194.13122858 154.9
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.