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
2
Annotation Hits

0
References

1809
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 126.3
[M+Na]+ 155.067858 132.8
[M-H]- 131.071364 127.6
[M+NH4]+ 150.112463 147.4
[M+K]+ 171.041798 132.8
[M+H-H2O]+ 115.075900 122.0
[M+HCOO]- 177.076841 146.3
[M+CH3COO]- 191.092491 165.0
[M+Na-2H]- 153.053306 131.3
[M]+ 132.07809142 124.5
[M]- 132.07918858 124.5
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