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

12
Patents

214.07423 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 144.1
[M+Na]+ 237.06345 155.4
[M-H]- 213.06695 148.9
[M+NH4]+ 232.10805 159.9
[M+K]+ 253.03739 152.3
[M+H-H2O]+ 197.07149 129.8
[M+HCOO]- 259.07243 164.3
[M+CH3COO]- 273.08808 197.8
[M+Na-2H]- 235.04890 149.6
[M]+ 214.07368 142.3
[M]- 214.07478 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