CID 7528

Solketal

Structural Information

Molecular Formula
C6H12O3
SMILES
CC1(OCC(O1)CO)C
InChI
InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3
InChIKey
RNVYQYLELCKWAN-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

51
References

20372
Patents

132.07864 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 123.9
[M+Na]+ 155.06786 131.8
[M-H]- 131.07136 127.6
[M+NH4]+ 150.11246 146.5
[M+K]+ 171.04180 133.8
[M+H-H2O]+ 115.07590 120.7
[M+HCOO]- 177.07684 144.5
[M+CH3COO]- 191.09249 167.3
[M+Na-2H]- 153.05331 131.8
[M]+ 132.07809 124.9
[M]- 132.07919 124.9
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