CID 82711397

3-(hydroxymethyl)oxolan-3-ol

Structural Information

Molecular Formula
C5H10O3
SMILES
C1COCC1(CO)O
InChI
InChI=1S/C5H10O3/c6-3-5(7)1-2-8-4-5/h6-7H,1-4H2
InChIKey
RQOZSVBKJFQPKJ-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

118.062996 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.07027 121.4
[M+Na]+ 141.05221 128.3
[M-H]- 117.05572 122.9
[M+NH4]+ 136.09682 144.8
[M+K]+ 157.02615 128.7
[M+H-H2O]+ 101.06026 118.0
[M+HCOO]- 163.06120 141.8
[M+CH3COO]- 177.07685 160.3
[M+Na-2H]- 139.03766 128.8
[M]+ 118.06245 119.1
[M]- 118.06354 119.1
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