CID 3706069

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Structural Information

Molecular Formula
C9H12N2OS
SMILES
CC(=O)NC1=NC2=C(S1)CCCC2
InChI
InChI=1S/C9H12N2OS/c1-6(12)10-9-11-7-4-2-3-5-8(7)13-9/h2-5H2,1H3,(H,10,11,12)
InChIKey
GHHGPCCCMHZHTL-UHFFFAOYSA-N
Compound name
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

196.06703 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07431 141.1
[M+Na]+ 219.05625 150.6
[M+NH4]+ 214.10085 150.2
[M+K]+ 235.03019 144.7
[M-H]- 195.05975 143.0
[M+Na-2H]- 217.04170 145.0
[M]+ 196.06648 143.2
[M]- 196.06758 143.2
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