CID 137964603

2228305-71-1

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1(C2CC(C2)(O1)CO)C
InChI
InChI=1S/C8H14O2/c1-7(2)6-3-8(4-6,5-9)10-7/h6,9H,3-5H2,1-2H3
InChIKey
ITFAWQQFOIRTQT-UHFFFAOYSA-N
Compound name
(3,3-dimethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 134.7
[M+Na]+ 165.08860 142.4
[M-H]- 141.09210 136.0
[M+NH4]+ 160.13320 159.1
[M+K]+ 181.06254 143.8
[M+H-H2O]+ 125.09664 130.2
[M+HCOO]- 187.09758 151.3
[M+CH3COO]- 201.11323 177.4
[M+Na-2H]- 163.07405 144.0
[M]+ 142.09883 148.7
[M]- 142.09993 148.7
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.