CID 2757339

81779-11-5

Structural Information

Molecular Formula
C11H18N2S
SMILES
CC(C)(C)C1CCC2=C(C1)SC(=N2)N
InChI
InChI=1S/C11H18N2S/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h7H,4-6H2,1-3H3,(H2,12,13)
InChIKey
QXRJJJPFOHTPIG-UHFFFAOYSA-N
Compound name
6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

210.11906 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.126336 148.3
[M+Na]+ 233.108278 156.2
[M-H]- 209.111784 151.1
[M+NH4]+ 228.152883 169.5
[M+K]+ 249.082218 152.9
[M+H-H2O]+ 193.116320 143.0
[M+HCOO]- 255.117261 162.5
[M+CH3COO]- 269.132911 187.9
[M+Na-2H]- 231.093726 150.0
[M]+ 210.11851142 147.2
[M]- 210.11960858 147.2
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