CID 151064

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

Structural Information

Molecular Formula
C8H9NS
SMILES
C1CSC2=CC=CC=C2N1
InChI
InChI=1S/C8H9NS/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9H,5-6H2
InChIKey
YBBLSBDJIKMXNQ-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-1,4-benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3322
Patents

151.04558 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05286 127.1
[M+Na]+ 174.03480 140.3
[M+NH4]+ 169.07940 138.0
[M+K]+ 190.00874 130.8
[M-H]- 150.03830 130.3
[M+Na-2H]- 172.02025 134.2
[M]+ 151.04503 130.4
[M]- 151.04613 130.4
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

patents stripe