CID 2794260

3-allyl-6-methylbenzo[d]thiazol-2(3h)-imine hydrobromide

Structural Information

Molecular Formula
C11H12N2S
SMILES
CC1=CC2=C(C=C1)N(C(=N)S2)CC=C
InChI
InChI=1S/C11H12N2S/c1-3-6-13-9-5-4-8(2)7-10(9)14-11(13)12/h3-5,7,12H,1,6H2,2H3
InChIKey
DICUTMLEOKPECA-UHFFFAOYSA-N
Compound name
6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07211 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07939 141.3
[M+Na]+ 227.06133 153.4
[M-H]- 203.06483 145.9
[M+NH4]+ 222.10593 163.3
[M+K]+ 243.03527 147.9
[M+H-H2O]+ 187.06937 135.6
[M+HCOO]- 249.07031 162.2
[M+CH3COO]- 263.08596 155.7
[M+Na-2H]- 225.04678 145.2
[M]+ 204.07156 145.0
[M]- 204.07266 145.0
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

No patent data available for this compound.