CID 113262

8,9-dihydro-2-methylnaphtho[1,2-d]thiazole

Structural Information

Molecular Formula
C12H11NS
SMILES
CC1=NC2=C(S1)C=CC3=C2CCC=C3
InChI
InChI=1S/C12H11NS/c1-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14-8/h2,4,6-7H,3,5H2,1H3
InChIKey
QEUUFJLLFQIUQH-UHFFFAOYSA-N
Compound name
2-methyl-8,9-dihydrobenzo[e][1,3]benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.06122 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06850 139.4
[M+Na]+ 224.05044 151.1
[M-H]- 200.05394 144.5
[M+NH4]+ 219.09504 162.6
[M+K]+ 240.02438 146.5
[M+H-H2O]+ 184.05848 133.9
[M+HCOO]- 246.05942 157.5
[M+CH3COO]- 260.07507 153.8
[M+Na-2H]- 222.03589 145.2
[M]+ 201.06067 142.8
[M]- 201.06177 142.8
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

No patent data available for this compound.