CID 71755532

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

Structural Information

Molecular Formula
C10H13NS
SMILES
CC1C(SC2=CC=CC=C2N1)C
InChI
InChI=1S/C10H13NS/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-8,11H,1-2H3
InChIKey
RFRWCQZPTDJSPQ-UHFFFAOYSA-N
Compound name
2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

179.07687 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08415 135.2
[M+Na]+ 202.06609 143.4
[M-H]- 178.06959 137.0
[M+NH4]+ 197.11069 155.4
[M+K]+ 218.04003 139.1
[M+H-H2O]+ 162.07413 129.6
[M+HCOO]- 224.07507 148.6
[M+CH3COO]- 238.09072 147.6
[M+Na-2H]- 200.05154 139.3
[M]+ 179.07632 133.2
[M]- 179.07742 133.2
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