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]+ 129.090996 124.8
[M+Na]+ 151.072938 135.3
[M-H]- 127.076444 129.9
[M+NH4]+ 146.117543 145.0
[M+K]+ 167.046878 134.6
[M+H-H2O]+ 111.080980 121.2
[M+HCOO]- 173.081921 145.0
[M+CH3COO]- 187.097571 172.0
[M+Na-2H]- 149.058386 132.9
[M]+ 128.08317142 128.2
[M]- 128.08426858 128.2
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.