CID 21618

1,3-dioxolane-4-methanol

Structural Information

Molecular Formula
C4H8O3
SMILES
C1C(OCO1)CO
InChI
InChI=1S/C4H8O3/c5-1-4-2-6-3-7-4/h4-5H,1-3H2
InChIKey
BOHGAOWOIJMTPZ-UHFFFAOYSA-N
Compound name
1,3-dioxolan-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

20
References

7774
Patents

104.04734 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.05462 116.7
[M+Na]+ 127.03656 123.6
[M-H]- 103.04006 120.0
[M+NH4]+ 122.08116 138.0
[M+K]+ 143.01050 125.9
[M+H-H2O]+ 87.044600 112.5
[M+HCOO]- 149.04554 137.9
[M+CH3COO]- 163.06119 160.5
[M+Na-2H]- 125.02201 124.9
[M]+ 104.04679 116.2
[M]- 104.04789 116.2
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