CID 3034838

68039-78-1

Structural Information

Molecular Formula
C12H18O2
SMILES
C1CC2CC1C3C2C(CC3)COC=O
InChI
InChI=1S/C12H18O2/c13-7-14-6-10-3-4-11-8-1-2-9(5-8)12(10)11/h7-12H,1-6H2
InChIKey
JJOPSNLHZOGEIH-UHFFFAOYSA-N
Compound name
3-tricyclo[5.2.1.02,6]decanylmethyl formate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

194.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 144.8
[M+Na]+ 217.11990 152.0
[M+NH4]+ 212.16450 154.6
[M+K]+ 233.09384 151.3
[M-H]- 193.12340 145.0
[M+Na-2H]- 215.10535 144.0
[M]+ 194.13013 145.5
[M]- 194.13123 145.5
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

patents stripe