CID 574164

6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole

Structural Information

Molecular Formula
C8H11NS
SMILES
CC1CCC2=C(C1)SC=N2
InChI
InChI=1S/C8H11NS/c1-6-2-3-7-8(4-6)10-5-9-7/h5-6H,2-4H2,1H3
InChIKey
OSAVKXRNTRCRJX-UHFFFAOYSA-N
Compound name
6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

153.06122 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.068496 129.5
[M+Na]+ 176.050438 138.4
[M-H]- 152.053944 133.0
[M+NH4]+ 171.095043 153.2
[M+K]+ 192.024378 136.1
[M+H-H2O]+ 136.058480 124.3
[M+HCOO]- 198.059421 146.0
[M+CH3COO]- 212.075071 143.5
[M+Na-2H]- 174.035886 132.9
[M]+ 153.06067142 129.3
[M]- 153.06176858 129.3
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