CID 89353

3,5-dimethyl-1,2-dioxolane-3,5-diol

Structural Information

Molecular Formula
C5H10O4
SMILES
CC1(CC(OO1)(C)O)O
InChI
InChI=1S/C5H10O4/c1-4(6)3-5(2,7)9-8-4/h6-7H,3H2,1-2H3
InChIKey
ODQWDBNAMVRLSR-UHFFFAOYSA-N
Compound name
3,5-dimethyldioxolane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

134.0579 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06518 120.8
[M+Na]+ 157.04712 129.6
[M-H]- 133.05062 123.7
[M+NH4]+ 152.09172 144.5
[M+K]+ 173.02106 131.5
[M+H-H2O]+ 117.05516 118.9
[M+HCOO]- 179.05610 140.4
[M+CH3COO]- 193.07175 163.7
[M+Na-2H]- 155.03257 130.3
[M]+ 134.05735 121.6
[M]- 134.05845 121.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe