CID 134686776

(2-methyl-1,4-dioxan-2-yl)methanol

Structural Information

Molecular Formula
C6H12O3
SMILES
CC1(COCCO1)CO
InChI
InChI=1S/C6H12O3/c1-6(4-7)5-8-2-3-9-6/h7H,2-5H2,1H3
InChIKey
RUQHTSFYGPIEIK-UHFFFAOYSA-N
Compound name
(2-methyl-1,4-dioxan-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

132.07864 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.085916 125.2
[M+Na]+ 155.067858 131.3
[M-H]- 131.071364 128.5
[M+NH4]+ 150.112463 145.7
[M+K]+ 171.041798 133.6
[M+H-H2O]+ 115.075900 121.0
[M+HCOO]- 177.076841 143.7
[M+CH3COO]- 191.092491 166.4
[M+Na-2H]- 153.053306 134.8
[M]+ 132.07809142 123.8
[M]- 132.07918858 123.8
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