CID 21902

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

Structural Information

Molecular Formula
C8H16O3
SMILES
CCC1(OCC(O1)CO)CC
InChI
InChI=1S/C8H16O3/c1-3-8(4-2)10-6-7(5-9)11-8/h7,9H,3-6H2,1-2H3
InChIKey
WEIVFXLGBXCVEF-UHFFFAOYSA-N
Compound name
(2,2-diethyl-1,3-dioxolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

160.10994 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.117216 133.3
[M+Na]+ 183.099158 140.4
[M-H]- 159.102664 136.7
[M+NH4]+ 178.143763 154.8
[M+K]+ 199.073098 141.9
[M+H-H2O]+ 143.107200 129.8
[M+HCOO]- 205.108141 153.3
[M+CH3COO]- 219.123791 173.3
[M+Na-2H]- 181.084606 140.1
[M]+ 160.10939142 135.1
[M]- 160.11048858 135.1
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