CID 100900

5-(1-hydroxyethyl)oxolan-2-one

Structural Information

Molecular Formula
C6H10O3
SMILES
CC(C1CCC(=O)O1)O
InChI
InChI=1S/C6H10O3/c1-4(7)5-2-3-6(8)9-5/h4-5,7H,2-3H2,1H3
InChIKey
KBLZKAKKJPDYKJ-UHFFFAOYSA-N
Compound name
5-(1-hydroxyethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

130.06299 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.07027 124.8
[M+Na]+ 153.05221 131.8
[M-H]- 129.05571 127.7
[M+NH4]+ 148.09681 146.5
[M+K]+ 169.02615 132.6
[M+H-H2O]+ 113.06025 120.5
[M+HCOO]- 175.06119 145.5
[M+CH3COO]- 189.07684 167.5
[M+Na-2H]- 151.03766 129.0
[M]+ 130.06244 123.5
[M]- 130.06354 123.5
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