CID 15089712

2-methylbenzo[d]thiazole-5-carbonitrile

Structural Information

Molecular Formula
C9H6N2S
SMILES
CC1=NC2=C(S1)C=CC(=C2)C#N
InChI
InChI=1S/C9H6N2S/c1-6-11-8-4-7(5-10)2-3-9(8)12-6/h2-4H,1H3
InChIKey
LMGBAGZYSFICDQ-UHFFFAOYSA-N
Compound name
2-methyl-1,3-benzothiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

174.02516 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03244 131.6
[M+Na]+ 197.01438 145.4
[M+NH4]+ 192.05898 138.3
[M+K]+ 212.98832 135.1
[M-H]- 173.01788 127.3
[M+Na-2H]- 194.99983 136.4
[M]+ 174.02461 132.1
[M]- 174.02571 132.1
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

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