CID 13426889

{1-methoxybicyclo[2.2.2]oct-5-en-2-yl}methanol

Structural Information

Molecular Formula
C10H16O2
SMILES
COC12CCC(CC1CO)C=C2
InChI
InChI=1S/C10H16O2/c1-12-10-4-2-8(3-5-10)6-9(10)7-11/h2,4,8-9,11H,3,5-7H2,1H3
InChIKey
WLBAVHAALCQRRI-UHFFFAOYSA-N
Compound name
(1-methoxy-2-bicyclo[2.2.2]oct-5-enyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 138.2
[M+Na]+ 191.10426 143.6
[M-H]- 167.10776 134.1
[M+NH4]+ 186.14886 164.6
[M+K]+ 207.07820 141.3
[M+H-H2O]+ 151.11230 134.2
[M+HCOO]- 213.11324 150.2
[M+CH3COO]- 227.12889 149.3
[M+Na-2H]- 189.08971 150.4
[M]+ 168.11449 140.5
[M]- 168.11559 140.5
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

No patent data available for this compound.