CID 21873693

3,4-dihydro-2h-1,4-benzothiazine-6-carbaldehyde

Structural Information

Molecular Formula
C9H9NOS
SMILES
C1CSC2=C(N1)C=C(C=C2)C=O
InChI
InChI=1S/C9H9NOS/c11-6-7-1-2-9-8(5-7)10-3-4-12-9/h1-2,5-6,10H,3-4H2
InChIKey
TUVZNNYNOBQWNP-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-1,4-benzothiazine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

179.04048 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04776 134.7
[M+Na]+ 202.02970 147.5
[M+NH4]+ 197.07430 144.5
[M+K]+ 218.00364 138.4
[M-H]- 178.03320 137.1
[M+Na-2H]- 200.01515 140.7
[M]+ 179.03993 137.6
[M]- 179.04103 137.6
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

patents stripe