CID 97792

104-80-3

Structural Information

Molecular Formula
C6H12O3
SMILES
C1CC(OC1CO)CO
InChI
InChI=1S/C6H12O3/c7-3-5-1-2-6(4-8)9-5/h5-8H,1-4H2
InChIKey
YCZZQSFWHFBKMU-UHFFFAOYSA-N
Compound name
[5-(hydroxymethyl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1714
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 126.0
[M+Na]+ 155.06786 134.9
[M+NH4]+ 150.11246 133.7
[M+K]+ 171.04180 132.9
[M-H]- 131.07136 126.9
[M+Na-2H]- 153.05331 128.5
[M]+ 132.07809 127.2
[M]- 132.07919 127.2
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