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 144.8
[M+Na]+ 217.11990 154.3
[M-H]- 193.12340 147.2
[M+NH4]+ 212.16450 170.4
[M+K]+ 233.09384 150.0
[M+H-H2O]+ 177.12794 142.6
[M+HCOO]- 239.12888 160.9
[M+CH3COO]- 253.14453 157.6
[M+Na-2H]- 215.10535 149.2
[M]+ 194.13013 154.9
[M]- 194.13123 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.