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-ethyl-4-pyridinyl)-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]+ 199.053576 140.0
[M+Na]+ 221.035518 147.5
[M-H]- 197.039024 141.3
[M+NH4]+ 216.080123 157.5
[M+K]+ 237.009458 144.3
[M+H-H2O]+ 181.043560 133.6
[M+HCOO]- 243.044501 156.5
[M+CH3COO]- 257.060151 181.6
[M+Na-2H]- 219.020966 142.4
[M]+ 198.04575142 140.0
[M]- 198.04684858 140.0
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.