CID 19995

N,n-dimethyl-2-benzothiazolamine

Structural Information

Molecular Formula
C9H10N2S
SMILES
CN(C)C1=NC2=CC=CC=C2S1
InChI
InChI=1S/C9H10N2S/c1-11(2)9-10-7-5-3-4-6-8(7)12-9/h3-6H,1-2H3
InChIKey
RIHDPQKLSOXBOH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

178.05647 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.063746 133.9
[M+Na]+ 201.045688 144.7
[M-H]- 177.049194 139.7
[M+NH4]+ 196.090293 157.2
[M+K]+ 217.019628 142.5
[M+H-H2O]+ 161.053730 127.8
[M+HCOO]- 223.054671 155.8
[M+CH3COO]- 237.070321 149.1
[M+Na-2H]- 199.031136 139.6
[M]+ 178.05592142 138.8
[M]- 178.05701858 138.8
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