CID 34201

N-ethyl-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C9H10N2S
SMILES
CCNC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C9H10N2S/c1-2-10-9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H,10,11)
InChIKey
SPJIVJKZYGYWQH-UHFFFAOYSA-N
Compound name
N-ethyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

79
Patents

178.05647 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.063746 133.1
[M+Na]+ 201.045688 143.8
[M-H]- 177.049194 137.3
[M+NH4]+ 196.090293 155.7
[M+K]+ 217.019628 140.1
[M+H-H2O]+ 161.053730 127.2
[M+HCOO]- 223.054671 154.5
[M+CH3COO]- 237.070321 147.7
[M+Na-2H]- 199.031136 139.6
[M]+ 178.05592142 136.7
[M]- 178.05701858 136.7
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