CID 6453329

56354-98-4

Structural Information

Molecular Formula
C7H6N2OS
SMILES
C1=CC2=C(C=C1N)SC(=O)N2
InChI
InChI=1S/C7H6N2OS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,8H2,(H,9,10)
InChIKey
CLYCLRFHPKKUBR-UHFFFAOYSA-N
Compound name
6-amino-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

273
Patents

166.02008 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02736 128.0
[M+Na]+ 189.00930 140.1
[M-H]- 165.01280 131.0
[M+NH4]+ 184.05390 150.2
[M+K]+ 204.98324 135.4
[M+H-H2O]+ 149.01734 123.0
[M+HCOO]- 211.01828 148.2
[M+CH3COO]- 225.03393 142.7
[M+Na-2H]- 186.99475 133.4
[M]+ 166.01953 129.2
[M]- 166.02063 129.2
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