CID 171034894

{1-methyl-2-oxabicyclo[2.1.1]hexan-3-yl}methanol

Structural Information

Molecular Formula
C7H12O2
SMILES
CC12CC(C1)C(O2)CO
InChI
InChI=1S/C7H12O2/c1-7-2-5(3-7)6(4-8)9-7/h5-6,8H,2-4H2,1H3
InChIKey
MIXJNITZQDYKAK-UHFFFAOYSA-N
Compound name
(1-methyl-2-oxabicyclo[2.1.1]hexan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 128.2
[M+Na]+ 151.072938 135.3
[M-H]- 127.076444 129.3
[M+NH4]+ 146.117543 151.2
[M+K]+ 167.046878 137.4
[M+H-H2O]+ 111.080980 123.1
[M+HCOO]- 173.081921 145.3
[M+CH3COO]- 187.097571 174.8
[M+Na-2H]- 149.058386 137.2
[M]+ 128.08317142 141.6
[M]- 128.08426858 141.6
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.