CID 67305193

1-(1,3-benzothiazol-6-yl)ethan-1-amine

Structural Information

Molecular Formula
C9H10N2S
SMILES
CC(C1=CC2=C(C=C1)N=CS2)N
InChI
InChI=1S/C9H10N2S/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-6H,10H2,1H3
InChIKey
ZOWXJJFJILFTCE-UHFFFAOYSA-N
Compound name
1-(1,3-benzothiazol-6-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

178.05647 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.063746 134.3
[M+Na]+ 201.045688 144.7
[M-H]- 177.049194 138.2
[M+NH4]+ 196.090293 156.6
[M+K]+ 217.019628 141.1
[M+H-H2O]+ 161.053730 128.6
[M+HCOO]- 223.054671 154.0
[M+CH3COO]- 237.070321 148.5
[M+Na-2H]- 199.031136 138.7
[M]+ 178.05592142 136.4
[M]- 178.05701858 136.4
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