CID 2801692

3-allyl-2,3-dihydro-1,3-benzothiazol-2-one

Structural Information

Molecular Formula
C10H9NOS
SMILES
C=CCN1C2=CC=CC=C2SC1=O
InChI
InChI=1S/C10H9NOS/c1-2-7-11-8-5-3-4-6-9(8)13-10(11)12/h2-6H,1,7H2
InChIKey
CUAPJBQDSYKIPW-UHFFFAOYSA-N
Compound name
3-prop-2-enyl-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

191.04048 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04776 136.6
[M+Na]+ 214.02970 149.2
[M-H]- 190.03320 141.3
[M+NH4]+ 209.07430 159.2
[M+K]+ 230.00364 144.7
[M+H-H2O]+ 174.03774 131.3
[M+HCOO]- 236.03868 157.3
[M+CH3COO]- 250.05433 151.7
[M+Na-2H]- 212.01515 141.2
[M]+ 191.03993 141.8
[M]- 191.04103 141.8
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.