CID 129320385

(2-ethylpyridin-4-yl)(imino)methanesulfinic acid

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
CCC1=NC=CC(=C1)C(=N)S(=O)O
InChI
InChI=1S/C8H10N2O2S/c1-2-7-5-6(3-4-10-7)8(9)13(11)12/h3-5,9H,2H2,1H3,(H,11,12)
InChIKey
BDTNVHOFXWADHG-UHFFFAOYSA-N
Compound name
(2-ethylpyridin-4-yl)-iminomethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

198.0463 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 141.0
[M+Na]+ 221.03552 151.2
[M+NH4]+ 216.08012 148.0
[M+K]+ 237.00946 145.0
[M-H]- 197.03902 141.6
[M+Na-2H]- 219.02097 145.7
[M]+ 198.04575 142.8
[M]- 198.04685 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.