CID 167740875

Lithium(1+) dimethyl-1,3-oxazole-5-sulfinate

Structural Information

Molecular Formula
C5H7NO3S
SMILES
CC1=C(OC(=N1)C)S(=O)O
InChI
InChI=1S/C5H7NO3S/c1-3-5(10(7)8)9-4(2)6-3/h1-2H3,(H,7,8)
InChIKey
VBFCGJBNEBIFHJ-UHFFFAOYSA-N
Compound name
2,4-dimethyl-1,3-oxazole-5-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.01466 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.021936 128.1
[M+Na]+ 184.003878 138.8
[M-H]- 160.007384 131.1
[M+NH4]+ 179.048483 148.5
[M+K]+ 199.977818 138.4
[M+H-H2O]+ 144.011920 123.3
[M+HCOO]- 206.012861 145.7
[M+CH3COO]- 220.028511 171.6
[M+Na-2H]- 181.989326 130.5
[M]+ 161.01411142 132.5
[M]- 161.01520858 132.5
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

No patent data available for this compound.