CID 21156090

72928-15-5

Structural Information

Molecular Formula
C12H16O2
SMILES
C1C=CC2C1C3CC2C(C3)OCC=O
InChI
InChI=1S/C12H16O2/c13-4-5-14-12-7-8-6-11(12)10-3-1-2-9(8)10/h1,3-4,8-12H,2,5-7H2
InChIKey
IEGQLMQQLIHJMA-UHFFFAOYSA-N
Compound name
2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxy)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

192.11504 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 146.4
[M+Na]+ 215.10426 154.1
[M-H]- 191.10776 150.3
[M+NH4]+ 210.14886 173.8
[M+K]+ 231.07820 151.5
[M+H-H2O]+ 175.11230 142.9
[M+HCOO]- 237.11324 167.8
[M+CH3COO]- 251.12889 184.4
[M+Na-2H]- 213.08971 147.9
[M]+ 192.11449 147.7
[M]- 192.11559 147.7
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