CID 66157988

5-(methoxymethyl)-1,2-oxazole-3-carbonitrile

Structural Information

Molecular Formula
C6H6N2O2
SMILES
COCC1=CC(=NO1)C#N
InChI
InChI=1S/C6H6N2O2/c1-9-4-6-2-5(3-7)8-10-6/h2H,4H2,1H3
InChIKey
VBDPPMZFYTWIOZ-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-1,2-oxazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.04292 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.050196 120.8
[M+Na]+ 161.032138 131.9
[M-H]- 137.035644 123.3
[M+NH4]+ 156.076743 139.6
[M+K]+ 177.006078 131.9
[M+H-H2O]+ 121.040180 107.9
[M+HCOO]- 183.041121 141.5
[M+CH3COO]- 197.056771 184.6
[M+Na-2H]- 159.017586 128.3
[M]+ 138.04237142 119.1
[M]- 138.04346858 119.1
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.