CID 590972

29273-65-2

Structural Information

Molecular Formula
C9H8N2OS
SMILES
C1=CC=C2C(=C1)C(=NS2)CC(=O)N
InChI
InChI=1S/C9H8N2OS/c10-9(12)5-7-6-3-1-2-4-8(6)13-11-7/h1-4H,5H2,(H2,10,12)
InChIKey
WRVKQLQOVISMEV-UHFFFAOYSA-N
Compound name
2-(1,2-benzothiazol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

192.03574 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.043016 137.2
[M+Na]+ 215.024958 147.7
[M-H]- 191.028464 141.0
[M+NH4]+ 210.069563 158.7
[M+K]+ 230.998898 144.0
[M+H-H2O]+ 175.033000 131.4
[M+HCOO]- 237.033941 157.3
[M+CH3COO]- 251.049591 151.2
[M+Na-2H]- 213.010406 141.6
[M]+ 192.03519142 140.0
[M]- 192.03628858 140.0
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