CID 137943143

2260936-37-4

Structural Information

Molecular Formula
C8H14O3
SMILES
COCC1(CC2C(C1)O2)CO
InChI
InChI=1S/C8H14O3/c1-10-5-8(4-9)2-6-7(3-8)11-6/h6-7,9H,2-5H2,1H3
InChIKey
OCRVKQUKLNPGNE-UHFFFAOYSA-N
Compound name
[3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 132.6
[M+Na]+ 181.08352 142.6
[M-H]- 157.08702 137.5
[M+NH4]+ 176.12812 151.6
[M+K]+ 197.05746 141.9
[M+H-H2O]+ 141.09156 128.7
[M+HCOO]- 203.09250 152.6
[M+CH3COO]- 217.10815 176.9
[M+Na-2H]- 179.06897 140.1
[M]+ 158.09375 137.8
[M]- 158.09485 137.8
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.