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]+ 177.127396 139.6
[M+Na]+ 199.109338 146.9
[M-H]- 175.112844 143.7
[M+NH4]+ 194.153943 164.9
[M+K]+ 215.083278 144.4
[M+H-H2O]+ 159.117380 135.8
[M+HCOO]- 221.118321 157.8
[M+CH3COO]- 235.133971 152.9
[M+Na-2H]- 197.094786 143.3
[M]+ 176.11957142 137.7
[M]- 176.12066858 137.7
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