CID 21867

2-heptyl-2-methyl-1,3-dioxolane-4-methanol

Structural Information

Molecular Formula
C12H24O3
SMILES
CCCCCCCC1(OCC(O1)CO)C
InChI
InChI=1S/C12H24O3/c1-3-4-5-6-7-8-12(2)14-10-11(9-13)15-12/h11,13H,3-10H2,1-2H3
InChIKey
XNARJYMHDDBRQP-UHFFFAOYSA-N
Compound name
(2-heptyl-2-methyl-1,3-dioxolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.17255 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.17983 152.0
[M+Na]+ 239.16177 157.3
[M-H]- 215.16527 154.6
[M+NH4]+ 234.20637 171.2
[M+K]+ 255.13571 157.8
[M+H-H2O]+ 199.16981 147.6
[M+HCOO]- 261.17075 170.6
[M+CH3COO]- 275.18640 185.4
[M+Na-2H]- 237.14722 156.5
[M]+ 216.17200 155.2
[M]- 216.17310 155.2
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

No patent data available for this compound.