CID 59742705

3-methanesulfonyl-2-methylfuran

Structural Information

Molecular Formula
C6H8O3S
SMILES
CC1=C(C=CO1)S(=O)(=O)C
InChI
InChI=1S/C6H8O3S/c1-5-6(3-4-9-5)10(2,7)8/h3-4H,1-2H3
InChIKey
DQPSWDYHWQZIKG-UHFFFAOYSA-N
Compound name
2-methyl-3-methylsulfonylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

160.01941 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.026686 128.1
[M+Na]+ 183.008628 138.9
[M-H]- 159.012134 133.8
[M+NH4]+ 178.053233 150.5
[M+K]+ 198.982568 138.7
[M+H-H2O]+ 143.016670 124.3
[M+HCOO]- 205.017611 148.0
[M+CH3COO]- 219.033261 172.0
[M+Na-2H]- 180.994076 133.3
[M]+ 160.01886142 133.3
[M]- 160.01995858 133.3
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