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

102
Patents

160.10994 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11722 133.3
[M+Na]+ 183.09916 140.4
[M-H]- 159.10266 136.7
[M+NH4]+ 178.14376 154.8
[M+K]+ 199.07310 141.9
[M+H-H2O]+ 143.10720 129.8
[M+HCOO]- 205.10814 153.3
[M+CH3COO]- 219.12379 173.3
[M+Na-2H]- 181.08461 140.1
[M]+ 160.10939 135.1
[M]- 160.11049 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