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]+ 157.122316 134.4
[M+Na]+ 179.104258 139.6
[M-H]- 155.107764 130.9
[M+NH4]+ 174.148863 161.6
[M+K]+ 195.078198 138.7
[M+H-H2O]+ 139.112300 130.2
[M+HCOO]- 201.113241 144.4
[M+CH3COO]- 215.128891 145.6
[M+Na-2H]- 177.089706 148.4
[M]+ 156.11449142 135.6
[M]- 156.11558858 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.