CID 263157

[2-(hydroxymethyl)oxolan-2-yl]methanol

Structural Information

Molecular Formula
C6H12O3
SMILES
C1CC(OC1)(CO)CO
InChI
InChI=1S/C6H12O3/c7-4-6(5-8)2-1-3-9-6/h7-8H,1-5H2
InChIKey
DDUCSZMYPQLRNL-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

469
Patents

132.07864 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 126.0
[M+Na]+ 155.06786 132.5
[M-H]- 131.07136 127.3
[M+NH4]+ 150.11246 148.8
[M+K]+ 171.04180 132.6
[M+H-H2O]+ 115.07590 122.4
[M+HCOO]- 177.07684 146.0
[M+CH3COO]- 191.09249 163.4
[M+Na-2H]- 153.05331 132.9
[M]+ 132.07809 124.1
[M]- 132.07919 124.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe