CID 17535121

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

Structural Information

Molecular Formula
C12H10N2O2
SMILES
COC1=CC=C(C=C1)C2=NC(=CO2)CC#N
InChI
InChI=1S/C12H10N2O2/c1-15-11-4-2-9(3-5-11)12-14-10(6-7-13)8-16-12/h2-5,8H,6H2,1H3
InChIKey
CNVPQEBXMWYNIP-UHFFFAOYSA-N
Compound name
2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

214.07423 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.081506 144.1
[M+Na]+ 237.063448 155.4
[M-H]- 213.066954 148.9
[M+NH4]+ 232.108053 159.9
[M+K]+ 253.037388 152.3
[M+H-H2O]+ 197.071490 129.8
[M+HCOO]- 259.072431 164.3
[M+CH3COO]- 273.088081 197.8
[M+Na-2H]- 235.048896 149.6
[M]+ 214.07368142 142.3
[M]- 214.07477858 142.3
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