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
3
Annotation Hits

0
References

40
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 136.2
[M+Na]+ 183.09916 142.1
[M-H]- 159.10266 139.3
[M+NH4]+ 178.14376 155.6
[M+K]+ 199.07310 143.8
[M+H-H2O]+ 143.10720 131.7
[M+HCOO]- 205.10814 155.1
[M+CH3COO]- 219.12379 174.6
[M+Na-2H]- 181.08461 140.2
[M]+ 160.10939 136.9
[M]- 160.11049 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