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

227
Patents

174.1256 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.13288 138.8
[M+Na]+ 197.11482 145.2
[M-H]- 173.11832 142.0
[M+NH4]+ 192.15942 159.6
[M+K]+ 213.08876 146.8
[M+H-H2O]+ 157.12286 135.1
[M+HCOO]- 219.12380 157.3
[M+CH3COO]- 233.13945 177.2
[M+Na-2H]- 195.10027 143.7
[M]+ 174.12505 140.2
[M]- 174.12615 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