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]+ 169.122316 138.2
[M+Na]+ 191.104258 143.6
[M-H]- 167.107764 134.1
[M+NH4]+ 186.148863 164.6
[M+K]+ 207.078198 141.3
[M+H-H2O]+ 151.112300 134.2
[M+HCOO]- 213.113241 150.2
[M+CH3COO]- 227.128891 149.3
[M+Na-2H]- 189.089706 150.4
[M]+ 168.11449142 140.5
[M]- 168.11558858 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.