CID 165453260

En300-726208

Structural Information

Molecular Formula
C10H12N2O2S
SMILES
C1CS(=O)CCN1C2=CN=C(C=C2)C=O
InChI
InChI=1S/C10H12N2O2S/c13-8-9-1-2-10(7-11-9)12-3-5-15(14)6-4-12/h1-2,7-8H,3-6H2
InChIKey
UEBJJEZZWSQJGA-UHFFFAOYSA-N
Compound name
5-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06195 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06923 146.5
[M+Na]+ 247.05117 154.5
[M-H]- 223.05467 150.4
[M+NH4]+ 242.09577 162.5
[M+K]+ 263.02511 150.7
[M+H-H2O]+ 207.05921 138.6
[M+HCOO]- 269.06015 161.1
[M+CH3COO]- 283.07580 184.9
[M+Na-2H]- 245.03662 149.2
[M]+ 224.06140 145.4
[M]- 224.06250 145.4
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.