CID 91979983

Dtxsid401171141

Structural Information

Molecular Formula
C12H16O
SMILES
CC=C1CC2CC1C3C2CC=CO3
InChI
InChI=1S/C12H16O/c1-2-8-6-9-7-11(8)12-10(9)4-3-5-13-12/h2-3,5,9-12H,4,6-7H2,1H3
InChIKey
OCGLTVXGVCPGAW-UHFFFAOYSA-N
Compound name
10-ethylidene-3-oxatricyclo[6.2.1.02,7]undec-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 138.7
[M+Na]+ 199.10934 148.9
[M+NH4]+ 194.15394 149.4
[M+K]+ 215.08328 145.6
[M-H]- 175.11284 141.5
[M+Na-2H]- 197.09479 139.6
[M]+ 176.11957 140.8
[M]- 176.12067 140.8
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.