CID 154727381

2490404-51-6

Structural Information

Molecular Formula
C10H13NOS
SMILES
CC1=NC2=C(S1)C(=O)C(CC2)(C)C
InChI
InChI=1S/C10H13NOS/c1-6-11-7-4-5-10(2,3)9(12)8(7)13-6/h4-5H2,1-3H3
InChIKey
HXWKNKFAHDRYDO-UHFFFAOYSA-N
Compound name
2,6,6-trimethyl-4,5-dihydro-1,3-benzothiazol-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.0718 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07908 139.2
[M+Na]+ 218.06102 149.9
[M-H]- 194.06452 143.2
[M+NH4]+ 213.10562 163.6
[M+K]+ 234.03496 147.0
[M+H-H2O]+ 178.06906 134.8
[M+HCOO]- 240.07000 155.3
[M+CH3COO]- 254.08565 183.0
[M+Na-2H]- 216.04647 141.9
[M]+ 195.07125 141.5
[M]- 195.07235 141.5
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.