CID 21903

2,2-diisobutyl-1,3-dioxolane-4-methanol

Structural Information

Molecular Formula
C12H24O3
SMILES
CC(C)CC1(OCC(O1)CO)CC(C)C
InChI
InChI=1S/C12H24O3/c1-9(2)5-12(6-10(3)4)14-8-11(7-13)15-12/h9-11,13H,5-8H2,1-4H3
InChIKey
FKXRTSJSCQXMBP-UHFFFAOYSA-N
Compound name
[2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

216.17255 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.179826 153.4
[M+Na]+ 239.161768 158.3
[M-H]- 215.165274 156.2
[M+NH4]+ 234.206373 172.5
[M+K]+ 255.135708 159.7
[M+H-H2O]+ 199.169810 149.4
[M+HCOO]- 261.170751 169.9
[M+CH3COO]- 275.186401 187.2
[M+Na-2H]- 237.147216 155.4
[M]+ 216.17200142 155.3
[M]- 216.17309858 155.3
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