CID 59027283

(3-methoxyoxolan-3-yl)methanol

Structural Information

Molecular Formula
C6H12O3
SMILES
COC1(CCOC1)CO
InChI
InChI=1S/C6H12O3/c1-8-6(4-7)2-3-9-5-6/h7H,2-5H2,1H3
InChIKey
MCAGRGVREBRYLZ-UHFFFAOYSA-N
Compound name
(3-methoxyoxolan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

132.07864 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 125.1
[M+Na]+ 155.06786 132.0
[M-H]- 131.07136 127.8
[M+NH4]+ 150.11246 148.6
[M+K]+ 171.04180 133.1
[M+H-H2O]+ 115.07590 121.3
[M+HCOO]- 177.07684 146.6
[M+CH3COO]- 191.09249 166.0
[M+Na-2H]- 153.05331 132.5
[M]+ 132.07809 125.0
[M]- 132.07919 125.0
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

patents stripe