CID 487215

Butanal, 4-(methylthio)-2-[[(3-pyridinylcarbonyl)oxy]amino]-

Structural Information

Molecular Formula
C11H14N2O3S
SMILES
CSCCC(C=O)NOC(=O)C1=CN=CC=C1
InChI
InChI=1S/C11H14N2O3S/c1-17-6-4-10(8-14)13-16-11(15)9-3-2-5-12-7-9/h2-3,5,7-8,10,13H,4,6H2,1H3
InChIKey
QUEQWYVKCSVASA-UHFFFAOYSA-N
Compound name
[(4-methylsulfanyl-1-oxobutan-2-yl)amino] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.07251 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07979 155.9
[M+Na]+ 277.06173 161.5
[M-H]- 253.06523 157.7
[M+NH4]+ 272.10633 171.4
[M+K]+ 293.03567 159.0
[M+H-H2O]+ 237.06977 148.2
[M+HCOO]- 299.07071 173.3
[M+CH3COO]- 313.08636 193.9
[M+Na-2H]- 275.04718 158.2
[M]+ 254.07196 159.9
[M]- 254.07306 159.9
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.