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

3565
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 126.2
[M+Na]+ 174.03480 133.6
[M-H]- 150.03830 127.7
[M+NH4]+ 169.07940 146.9
[M+K]+ 190.00874 129.8
[M+H-H2O]+ 134.04284 120.6
[M+HCOO]- 196.04378 140.4
[M+CH3COO]- 210.05943 138.8
[M+Na-2H]- 172.02025 132.8
[M]+ 151.04503 122.8
[M]- 151.04613 122.8
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