CID 21903

5694-81-5

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

101
Patents

216.17255 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.17983 153.4
[M+Na]+ 239.16177 158.3
[M-H]- 215.16527 156.2
[M+NH4]+ 234.20637 172.5
[M+K]+ 255.13571 159.7
[M+H-H2O]+ 199.16981 149.4
[M+HCOO]- 261.17075 169.9
[M+CH3COO]- 275.18640 187.2
[M+Na-2H]- 237.14722 155.4
[M]+ 216.17200 155.3
[M]- 216.17310 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