CID 12638752

Octahydro-2h-1,4-benzothiazine

Structural Information

Molecular Formula
C8H15NS
SMILES
C1CCC2C(C1)NCCS2
InChI
InChI=1S/C8H15NS/c1-2-4-8-7(3-1)9-5-6-10-8/h7-9H,1-6H2
InChIKey
WBNHBYBUEYNWRX-UHFFFAOYSA-N
Compound name
3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

157.09251 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09979 131.5
[M+Na]+ 180.08173 135.5
[M-H]- 156.08523 131.7
[M+NH4]+ 175.12633 151.6
[M+K]+ 196.05567 132.6
[M+H-H2O]+ 140.08977 125.7
[M+HCOO]- 202.09071 141.2
[M+CH3COO]- 216.10636 142.3
[M+Na-2H]- 178.06718 135.0
[M]+ 157.09196 123.8
[M]- 157.09306 123.8
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