CID 3024171

94249-15-7

Structural Information

Molecular Formula
C6H12O3
SMILES
C1CC(OCC1O)CO
InChI
InChI=1S/C6H12O3/c7-3-6-2-1-5(8)4-9-6/h5-8H,1-4H2
InChIKey
SOCMOTOHJWIJEQ-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)oxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
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 126.1
[M+Na]+ 155.067858 131.7
[M-H]- 131.071364 127.2
[M+NH4]+ 150.112463 145.3
[M+K]+ 171.041798 131.8
[M+H-H2O]+ 115.075900 121.3
[M+HCOO]- 177.076841 144.0
[M+CH3COO]- 191.092491 165.2
[M+Na-2H]- 153.053306 132.3
[M]+ 132.07809142 122.2
[M]- 132.07918858 122.2
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

patents stripe