CID 11816152

20761-68-6

Structural Information

Molecular Formula
C9H18O3
SMILES
CCC1(COC(OC1)(C)C)CO
InChI
InChI=1S/C9H18O3/c1-4-9(5-10)6-11-8(2,3)12-7-9/h10H,4-7H2,1-3H3
InChIKey
RUUJECRHYIYRSH-UHFFFAOYSA-N
Compound name
(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

174.1256 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.13288 136.2
[M+Na]+ 197.11482 142.9
[M-H]- 173.11832 139.8
[M+NH4]+ 192.15942 157.4
[M+K]+ 213.08876 144.9
[M+H-H2O]+ 157.12286 132.7
[M+HCOO]- 219.12380 153.7
[M+CH3COO]- 233.13945 176.5
[M+Na-2H]- 195.10027 145.0
[M]+ 174.12505 136.8
[M]- 174.12615 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe