CID 7130893

24622-34-2

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

16
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 138.4
[M+Na]+ 213.04569 151.5
[M+NH4]+ 208.09029 148.3
[M+K]+ 229.01963 143.3
[M-H]- 189.04919 141.6
[M+Na-2H]- 211.03114 145.5
[M]+ 190.05592 141.6
[M]- 190.05702 141.6
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