CID 21899

5694-76-8

Structural Information

Molecular Formula
C9H18O3
SMILES
CCCCC1(OCC(O1)CO)C
InChI
InChI=1S/C9H18O3/c1-3-4-5-9(2)11-7-8(6-10)12-9/h8,10H,3-7H2,1-2H3
InChIKey
ZQWSMVNUPDUGRL-UHFFFAOYSA-N
Compound name
(2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

174.1256 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.132876 138.0
[M+Na]+ 197.114818 144.7
[M-H]- 173.118324 141.2
[M+NH4]+ 192.159423 158.9
[M+K]+ 213.088758 145.9
[M+H-H2O]+ 157.122860 134.3
[M+HCOO]- 219.123801 157.6
[M+CH3COO]- 233.139451 176.3
[M+Na-2H]- 195.100266 144.2
[M]+ 174.12505142 140.1
[M]- 174.12614858 140.1
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