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 133.5
[M+Na]+ 202.02970 141.5
[M-H]- 178.03320 135.2
[M+NH4]+ 197.07430 153.2
[M+K]+ 218.00364 137.3
[M+H-H2O]+ 162.03774 127.8
[M+HCOO]- 224.03868 147.7
[M+CH3COO]- 238.05433 145.9
[M+Na-2H]- 200.01515 139.0
[M]+ 179.03993 131.6
[M]- 179.04103 131.6
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