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

60
Patents

146.0943 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 129.2
[M+Na]+ 169.083518 135.8
[M-H]- 145.087024 132.7
[M+NH4]+ 164.128123 149.4
[M+K]+ 185.057458 137.9
[M+H-H2O]+ 129.091560 125.0
[M+HCOO]- 191.092501 147.4
[M+CH3COO]- 205.108151 170.6
[M+Na-2H]- 167.068966 137.6
[M]+ 146.09375142 128.6
[M]- 146.09484858 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