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]+ 133.085916 125.1
[M+Na]+ 155.067858 132.0
[M-H]- 131.071364 127.8
[M+NH4]+ 150.112463 148.6
[M+K]+ 171.041798 133.1
[M+H-H2O]+ 115.075900 121.3
[M+HCOO]- 177.076841 146.6
[M+CH3COO]- 191.092491 166.0
[M+Na-2H]- 153.053306 132.5
[M]+ 132.07809142 125.0
[M]- 132.07918858 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