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

18
Patents

174.1256 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.13288 138.0
[M+Na]+ 197.11482 144.7
[M-H]- 173.11832 141.2
[M+NH4]+ 192.15942 158.9
[M+K]+ 213.08876 145.9
[M+H-H2O]+ 157.12286 134.3
[M+HCOO]- 219.12380 157.6
[M+CH3COO]- 233.13945 176.3
[M+Na-2H]- 195.10027 144.2
[M]+ 174.12505 140.1
[M]- 174.12615 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