CID 2337310

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

Structural Information

Molecular Formula
C12H10N2OS
SMILES
COC1=CC=C(C=C1)C2=CSC(=N2)CC#N
InChI
InChI=1S/C12H10N2OS/c1-15-10-4-2-9(3-5-10)11-8-16-12(14-11)6-7-13/h2-5,8H,6H2,1H3
InChIKey
PVJHQECSHPIPKG-UHFFFAOYSA-N
Compound name
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

230.05139 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05867 153.9
[M+Na]+ 253.04061 166.0
[M-H]- 229.04411 159.2
[M+NH4]+ 248.08521 171.3
[M+K]+ 269.01455 161.2
[M+H-H2O]+ 213.04865 140.2
[M+HCOO]- 275.04959 170.0
[M+CH3COO]- 289.06524 165.7
[M+Na-2H]- 251.02606 155.4
[M]+ 230.05084 152.6
[M]- 230.05194 152.6
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