CID 27132

15193-51-8

Structural Information

Molecular Formula
C8H7NO2S
SMILES
COC1=CC2=C(C=C1)SC(=O)N2
InChI
InChI=1S/C8H7NO2S/c1-11-5-2-3-7-6(4-5)9-8(10)12-7/h2-4H,1H3,(H,9,10)
InChIKey
STFOYVOEMLDYJL-UHFFFAOYSA-N
Compound name
5-methoxy-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

181.01974 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.027016 132.1
[M+Na]+ 204.008958 144.6
[M-H]- 180.012464 135.6
[M+NH4]+ 199.053563 154.3
[M+K]+ 219.982898 140.7
[M+H-H2O]+ 164.017000 127.2
[M+HCOO]- 226.017941 151.9
[M+CH3COO]- 240.033591 147.0
[M+Na-2H]- 201.994406 137.4
[M]+ 181.01919142 136.8
[M]- 181.02028858 136.8
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

patents stripe