CID 21869

5660-53-7

Structural Information

Molecular Formula
C9H18O3
SMILES
CC(C)CC1(OCC(O1)CO)C
InChI
InChI=1S/C9H18O3/c1-7(2)4-9(3)11-6-8(5-10)12-9/h7-8,10H,4-6H2,1-3H3
InChIKey
DFDWGIZZMBNYBV-UHFFFAOYSA-N
Compound name
[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

216
Patents

174.1256 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.132876 138.8
[M+Na]+ 197.114818 145.2
[M-H]- 173.118324 142.0
[M+NH4]+ 192.159423 159.6
[M+K]+ 213.088758 146.8
[M+H-H2O]+ 157.122860 135.1
[M+HCOO]- 219.123801 157.3
[M+CH3COO]- 233.139451 177.2
[M+Na-2H]- 195.100266 143.7
[M]+ 174.12505142 140.2
[M]- 174.12614858 140.2
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