CID 19877181

122957-57-7

Structural Information

Molecular Formula
C11H8N2S
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C11H8N2S/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10/h2-5,7H,1H3
InChIKey
REUDLMVWBUGLDA-UHFFFAOYSA-N
Compound name
4-(4-methyl-1,3-thiazol-5-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

200.04082 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04810 147.2
[M+Na]+ 223.03004 159.9
[M-H]- 199.03354 152.8
[M+NH4]+ 218.07464 165.9
[M+K]+ 239.00398 154.8
[M+H-H2O]+ 183.03808 133.9
[M+HCOO]- 245.03902 163.5
[M+CH3COO]- 259.05467 159.6
[M+Na-2H]- 221.01549 149.1
[M]+ 200.04027 144.4
[M]- 200.04137 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