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]+ 162.02194 128.1
[M+Na]+ 184.00388 138.8
[M-H]- 160.00738 131.1
[M+NH4]+ 179.04848 148.5
[M+K]+ 199.97782 138.4
[M+H-H2O]+ 144.01192 123.3
[M+HCOO]- 206.01286 145.7
[M+CH3COO]- 220.02851 171.6
[M+Na-2H]- 181.98933 130.5
[M]+ 161.01411 132.5
[M]- 161.01521 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.