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
6
Annotation Hits

51
References

21097
Patents

132.07864 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.085916 123.9
[M+Na]+ 155.067858 131.8
[M-H]- 131.071364 127.6
[M+NH4]+ 150.112463 146.5
[M+K]+ 171.041798 133.8
[M+H-H2O]+ 115.075900 120.7
[M+HCOO]- 177.076841 144.5
[M+CH3COO]- 191.092491 167.3
[M+Na-2H]- 153.053306 131.8
[M]+ 132.07809142 124.9
[M]- 132.07918858 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