CID 4962595

2-(1,3-benzothiazol-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C9H10N2S
SMILES
C1=CC=C2C(=C1)N=C(S2)CCN
InChI
InChI=1S/C9H10N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2
InChIKey
HLTRQIYNHRBUNW-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

61
Patents

178.05647 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.063746 133.4
[M+Na]+ 201.045688 144.1
[M-H]- 177.049194 137.1
[M+NH4]+ 196.090293 155.7
[M+K]+ 217.019628 140.1
[M+H-H2O]+ 161.053730 127.6
[M+HCOO]- 223.054671 154.2
[M+CH3COO]- 237.070321 147.8
[M+Na-2H]- 199.031136 138.9
[M]+ 178.05592142 136.1
[M]- 178.05701858 136.1
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