CID 71587178

(2-isobutyl-1,3-dioxolan-4-yl)methanol

Structural Information

Molecular Formula
C8H16O3
SMILES
CC(C)CC1OCC(O1)CO
InChI
InChI=1S/C8H16O3/c1-6(2)3-8-10-5-7(4-9)11-8/h6-9H,3-5H2,1-2H3
InChIKey
VLJPLCWWQHTPAZ-UHFFFAOYSA-N
Compound name
[2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
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 136.2
[M+Na]+ 183.099158 142.1
[M-H]- 159.102664 139.3
[M+NH4]+ 178.143763 155.6
[M+K]+ 199.073098 143.8
[M+H-H2O]+ 143.107200 131.7
[M+HCOO]- 205.108141 155.1
[M+CH3COO]- 219.123791 174.6
[M+Na-2H]- 181.084606 140.2
[M]+ 160.10939142 136.9
[M]- 160.11048858 136.9
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