CID 69948495

5-(hydroxymethyl)oxolan-3-one

Structural Information

Molecular Formula
C5H8O3
SMILES
C1C(OCC1=O)CO
InChI
InChI=1S/C5H8O3/c6-2-5-1-4(7)3-8-5/h5-6H,1-3H2
InChIKey
YOWFNVWWLIYTLS-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)oxolan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

116.04734 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.05462 119.5
[M+Na]+ 139.03656 127.2
[M-H]- 115.04006 122.4
[M+NH4]+ 134.08116 141.9
[M+K]+ 155.01050 127.8
[M+H-H2O]+ 99.044600 115.3
[M+HCOO]- 161.04554 141.6
[M+CH3COO]- 175.06119 163.6
[M+Na-2H]- 137.02201 125.6
[M]+ 116.04679 118.5
[M]- 116.04789 118.5
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