CID 137935762

{3-methyl-6-oxabicyclo[3.1.0]hexan-3-yl}methanol

Structural Information

Molecular Formula
C7H12O2
SMILES
CC1(CC2C(C1)O2)CO
InChI
InChI=1S/C7H12O2/c1-7(4-8)2-5-6(3-7)9-5/h5-6,8H,2-4H2,1H3
InChIKey
GFXYVXUYCSWWMJ-UHFFFAOYSA-N
Compound name
(3-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 127.0
[M+Na]+ 151.07294 138.7
[M+NH4]+ 146.11754 138.1
[M+K]+ 167.04688 135.1
[M-H]- 127.07644 136.1
[M+Na-2H]- 149.05839 134.0
[M]+ 128.08317 132.4
[M]- 128.08427 132.4
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.