CID 7130893

N-(prop-2-en-1-yl)-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C10H10N2S
SMILES
C=CCNC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C10H10N2S/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10/h2-6H,1,7H2,(H,11,12)
InChIKey
MRUBCUAZOZBUGC-UHFFFAOYSA-N
Compound name
N-prop-2-enyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

190.05647 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.063746 137.0
[M+Na]+ 213.045688 147.6
[M-H]- 189.049194 141.1
[M+NH4]+ 208.090293 159.0
[M+K]+ 229.019628 143.1
[M+H-H2O]+ 173.053730 131.0
[M+HCOO]- 235.054671 158.3
[M+CH3COO]- 249.070321 151.2
[M+Na-2H]- 211.031136 142.9
[M]+ 190.05592142 140.3
[M]- 190.05701858 140.3
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