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

17
Patents

196.06703 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.074306 140.7
[M+Na]+ 219.056248 148.0
[M-H]- 195.059754 143.8
[M+NH4]+ 214.100853 162.0
[M+K]+ 235.030188 145.5
[M+H-H2O]+ 179.064290 134.8
[M+HCOO]- 241.065231 157.0
[M+CH3COO]- 255.080881 183.1
[M+Na-2H]- 217.041696 143.3
[M]+ 196.06648142 140.1
[M]- 196.06757858 140.1
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