CID 66937181

(6,6-dimethyl-1,4-dioxan-2-yl)methanol

Structural Information

Molecular Formula
C7H14O3
SMILES
CC1(COCC(O1)CO)C
InChI
InChI=1S/C7H14O3/c1-7(2)5-9-4-6(3-8)10-7/h6,8H,3-5H2,1-2H3
InChIKey
VDHPCUZQKVYRPU-UHFFFAOYSA-N
Compound name
(6,6-dimethyl-1,4-dioxan-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
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 129.4
[M+Na]+ 169.08352 140.4
[M+NH4]+ 164.12812 139.0
[M+K]+ 185.05746 134.3
[M-H]- 145.08702 133.0
[M+Na-2H]- 167.06897 134.6
[M]+ 146.09375 132.1
[M]- 146.09485 132.1
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