CID 10887916

3-methyl-2-oxooxolane-3-carbaldehyde

Structural Information

Molecular Formula
C6H8O3
SMILES
CC1(CCOC1=O)C=O
InChI
InChI=1S/C6H8O3/c1-6(4-7)2-3-9-5(6)8/h4H,2-3H2,1H3
InChIKey
YDXSEFRDFYVFSA-UHFFFAOYSA-N
Compound name
3-methyl-2-oxooxolane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

128.04735 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.054626 120.2
[M+Na]+ 151.036568 129.2
[M-H]- 127.040074 124.9
[M+NH4]+ 146.081173 144.9
[M+K]+ 167.010508 130.0
[M+H-H2O]+ 111.044610 116.9
[M+HCOO]- 173.045551 143.8
[M+CH3COO]- 187.061201 168.0
[M+Na-2H]- 149.022016 127.7
[M]+ 128.04680142 121.1
[M]- 128.04789858 121.1
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