CID 12655091

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

Structural Information

Molecular Formula
C5H10O3
SMILES
C1COC(CO1)CO
InChI
InChI=1S/C5H10O3/c6-3-5-4-7-1-2-8-5/h5-6H,1-4H2
InChIKey
CMEPUAROFJSGJN-UHFFFAOYSA-N
Compound name
1,4-dioxan-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

3924
Patents

118.062996 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.070272 121.4
[M+Na]+ 141.052214 126.9
[M-H]- 117.055720 124.4
[M+NH4]+ 136.096819 140.3
[M+K]+ 157.026154 129.2
[M+H-H2O]+ 101.060256 116.4
[M+HCOO]- 163.061197 140.2
[M+CH3COO]- 177.076847 163.8
[M+Na-2H]- 139.037662 130.3
[M]+ 118.06244742 119.2
[M]- 118.06354458 119.2
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