CID 45947

63980-38-1

Structural Information

Molecular Formula
C11H22O3
SMILES
CCCCC(C)C1(OCC(O1)CO)C
InChI
InChI=1S/C11H22O3/c1-4-5-6-9(2)11(3)13-8-10(7-12)14-11/h9-10,12H,4-8H2,1-3H3
InChIKey
HADGDWQOEKNXOZ-UHFFFAOYSA-N
Compound name
(2-hexan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.15689 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.16417 148.2
[M+Na]+ 225.14611 153.7
[M-H]- 201.14961 151.1
[M+NH4]+ 220.19071 167.9
[M+K]+ 241.12005 154.9
[M+H-H2O]+ 185.15415 144.2
[M+HCOO]- 247.15509 166.1
[M+CH3COO]- 261.17074 183.3
[M+Na-2H]- 223.13156 152.0
[M]+ 202.15634 150.3
[M]- 202.15744 150.3
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

No patent data available for this compound.