CID 170910241

5-ethyl-1,3-oxazole-4-carbonitrile

Structural Information

Molecular Formula
C6H6N2O
SMILES
CCC1=C(N=CO1)C#N
InChI
InChI=1S/C6H6N2O/c1-2-6-5(3-7)8-4-9-6/h4H,2H2,1H3
InChIKey
PHENKNKKQQOVGX-UHFFFAOYSA-N
Compound name
5-ethyl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.04801 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.055286 118.7
[M+Na]+ 145.037228 129.9
[M-H]- 121.040734 121.2
[M+NH4]+ 140.081833 138.1
[M+K]+ 161.011168 129.4
[M+H-H2O]+ 105.045270 105.9
[M+HCOO]- 167.046211 139.2
[M+CH3COO]- 181.061861 182.8
[M+Na-2H]- 143.022676 126.1
[M]+ 122.04746142 115.8
[M]- 122.04855858 115.8
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

No patent data available for this compound.