CID 43286725

6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one

Structural Information

Molecular Formula
C8H11NOS
SMILES
CC1CCC2=C(C1)SC(=O)N2
InChI
InChI=1S/C8H11NOS/c1-5-2-3-6-7(4-5)11-8(10)9-6/h5H,2-4H2,1H3,(H,9,10)
InChIKey
VPMKHVJBRIMNFB-UHFFFAOYSA-N
Compound name
6-methyl-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.05614 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06342 132.8
[M+Na]+ 192.04536 142.3
[M-H]- 168.04886 135.1
[M+NH4]+ 187.08996 155.3
[M+K]+ 208.01930 138.7
[M+H-H2O]+ 152.05340 128.1
[M+HCOO]- 214.05434 148.1
[M+CH3COO]- 228.06999 146.2
[M+Na-2H]- 190.03081 135.3
[M]+ 169.05559 131.9
[M]- 169.05669 131.9
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.