CID 66936837

(5,5-dimethyl-1,4-dioxan-2-yl)methanol

Structural Information

Molecular Formula
C7H14O3
SMILES
CC1(COC(CO1)CO)C
InChI
InChI=1S/C7H14O3/c1-7(2)5-9-6(3-8)4-10-7/h6,8H,3-5H2,1-2H3
InChIKey
SOCKUQSAFVTHAW-UHFFFAOYSA-N
Compound name
(5,5-dimethyl-1,4-dioxan-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

146.0943 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 129.2
[M+Na]+ 169.08352 135.8
[M-H]- 145.08702 132.7
[M+NH4]+ 164.12812 149.4
[M+K]+ 185.05746 137.9
[M+H-H2O]+ 129.09156 125.0
[M+HCOO]- 191.09250 147.4
[M+CH3COO]- 205.10815 170.6
[M+Na-2H]- 167.06897 137.6
[M]+ 146.09375 128.6
[M]- 146.09485 128.6
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