CID 2742455

[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetonitrile

Structural Information

Molecular Formula
C12H10N2S
SMILES
CC1=CC=C(C=C1)C2=CSC(=N2)CC#N
InChI
InChI=1S/C12H10N2S/c1-9-2-4-10(5-3-9)11-8-15-12(14-11)6-7-13/h2-5,8H,6H2,1H3
InChIKey
YMRPDXAXRLGWDN-UHFFFAOYSA-N
Compound name
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

214.05647 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06375 151.0
[M+Na]+ 237.04569 163.4
[M-H]- 213.04919 156.5
[M+NH4]+ 232.09029 169.2
[M+K]+ 253.01963 158.0
[M+H-H2O]+ 197.05373 137.6
[M+HCOO]- 259.05467 167.0
[M+CH3COO]- 273.07032 163.1
[M+Na-2H]- 235.03114 152.5
[M]+ 214.05592 148.5
[M]- 214.05702 148.5
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