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]+ 191.06375 137.0
[M+Na]+ 213.04569 147.6
[M-H]- 189.04919 141.1
[M+NH4]+ 208.09029 159.0
[M+K]+ 229.01963 143.1
[M+H-H2O]+ 173.05373 131.0
[M+HCOO]- 235.05467 158.3
[M+CH3COO]- 249.07032 151.2
[M+Na-2H]- 211.03114 142.9
[M]+ 190.05592 140.3
[M]- 190.05702 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