CID 587241

Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-

Structural Information

Molecular Formula
C11H17NS
SMILES
CC(C)(C)C1CCCC2=C1N=CS2
InChI
InChI=1S/C11H17NS/c1-11(2,3)8-5-4-6-9-10(8)12-7-13-9/h7-8H,4-6H2,1-3H3
InChIKey
NTCPMMVQHYCJKA-UHFFFAOYSA-N
Compound name
4-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10817 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.115446 144.8
[M+Na]+ 218.097388 152.8
[M-H]- 194.100894 148.0
[M+NH4]+ 213.141993 167.0
[M+K]+ 234.071328 150.1
[M+H-H2O]+ 178.105430 139.6
[M+HCOO]- 240.106371 158.7
[M+CH3COO]- 254.122021 182.8
[M+Na-2H]- 216.082836 147.4
[M]+ 195.10762142 145.1
[M]- 195.10871858 145.1
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.