CID 377227

Nsc658461

Structural Information

Molecular Formula
C11H16O2
SMILES
CC1(C2CCC(C1=O)(C=C2)OC)C
InChI
InChI=1S/C11H16O2/c1-10(2)8-4-6-11(13-3,7-5-8)9(10)12/h4,6,8H,5,7H2,1-3H3
InChIKey
YXQDPNKKFYJJEW-UHFFFAOYSA-N
Compound name
1-methoxy-3,3-dimethylbicyclo[2.2.2]oct-5-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.11504 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 141.1
[M+Na]+ 203.10426 148.8
[M-H]- 179.10776 139.0
[M+NH4]+ 198.14886 169.9
[M+K]+ 219.07820 146.5
[M+H-H2O]+ 163.11230 136.9
[M+HCOO]- 225.11324 154.3
[M+CH3COO]- 239.12889 153.3
[M+Na-2H]- 201.08971 153.6
[M]+ 180.11449 145.6
[M]- 180.11559 145.6
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.