CID 2795383

3-(2-methyl-1,3-thiazol-4-yl)benzonitrile

Structural Information

Molecular Formula
C11H8N2S
SMILES
CC1=NC(=CS1)C2=CC=CC(=C2)C#N
InChI
InChI=1S/C11H8N2S/c1-8-13-11(7-14-8)10-4-2-3-9(5-10)6-12/h2-5,7H,1H3
InChIKey
GTYJGNFTLCURAQ-UHFFFAOYSA-N
Compound name
3-(2-methyl-1,3-thiazol-4-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

200.04082 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.048096 147.2
[M+Na]+ 223.030038 159.9
[M-H]- 199.033544 152.8
[M+NH4]+ 218.074643 165.9
[M+K]+ 239.003978 154.8
[M+H-H2O]+ 183.038080 133.9
[M+HCOO]- 245.039021 163.5
[M+CH3COO]- 259.054671 159.6
[M+Na-2H]- 221.015486 149.1
[M]+ 200.04027142 144.4
[M]- 200.04136858 144.4
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