CID 20296516

1-(3-hydroxyoxolan-3-yl)ethan-1-one

Structural Information

Molecular Formula
C6H10O3
SMILES
CC(=O)C1(CCOC1)O
InChI
InChI=1S/C6H10O3/c1-5(7)6(8)2-3-9-4-6/h8H,2-4H2,1H3
InChIKey
LINYULCYEACGBW-UHFFFAOYSA-N
Compound name
1-(3-hydroxyoxolan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

130.06299 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.070266 124.5
[M+Na]+ 153.052208 131.5
[M-H]- 129.055714 127.3
[M+NH4]+ 148.096813 148.0
[M+K]+ 169.026148 132.4
[M+H-H2O]+ 113.060250 120.9
[M+HCOO]- 175.061191 145.2
[M+CH3COO]- 189.076841 166.0
[M+Na-2H]- 151.037656 130.6
[M]+ 130.06244142 123.1
[M]- 130.06353858 123.1
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