CID 142350

(1,3-dioxan-2-yl)methanol

Structural Information

Molecular Formula
C5H10O3
SMILES
C1COC(OC1)CO
InChI
InChI=1S/C5H10O3/c6-4-5-7-2-1-3-8-5/h5-6H,1-4H2
InChIKey
IEBHUKYDOBADIB-UHFFFAOYSA-N
Compound name
1,3-dioxan-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

118.062996 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.07027 121.4
[M+Na]+ 141.05221 126.9
[M-H]- 117.05572 124.4
[M+NH4]+ 136.09682 140.3
[M+K]+ 157.02615 129.2
[M+H-H2O]+ 101.06026 116.4
[M+HCOO]- 163.06120 140.2
[M+CH3COO]- 177.07685 163.8
[M+Na-2H]- 139.03766 130.3
[M]+ 118.06245 119.2
[M]- 118.06354 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