CID 137935333

2248335-36-4

Structural Information

Molecular Formula
C9H16O2
SMILES
CC12CCC(CC1)(OC2)CO
InChI
InChI=1S/C9H16O2/c1-8-2-4-9(6-10,5-3-8)11-7-8/h10H,2-7H2,1H3
InChIKey
UIHQLNGZRFYUSA-UHFFFAOYSA-N
Compound name
(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 134.4
[M+Na]+ 179.10426 139.6
[M-H]- 155.10776 130.9
[M+NH4]+ 174.14886 161.6
[M+K]+ 195.07820 138.7
[M+H-H2O]+ 139.11230 130.2
[M+HCOO]- 201.11324 144.4
[M+CH3COO]- 215.12889 145.6
[M+Na-2H]- 177.08971 148.4
[M]+ 156.11449 135.6
[M]- 156.11559 135.6
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.