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]+ 192.047756 136.6
[M+Na]+ 214.029698 149.2
[M-H]- 190.033204 141.3
[M+NH4]+ 209.074303 159.2
[M+K]+ 230.003638 144.7
[M+H-H2O]+ 174.037740 131.3
[M+HCOO]- 236.038681 157.3
[M+CH3COO]- 250.054331 151.7
[M+Na-2H]- 212.015146 141.2
[M]+ 191.03993142 141.8
[M]- 191.04102858 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

literature stripe

Patent stripe

patents stripe