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]+ 139.05020 126.2
[M+Na]+ 161.03214 137.6
[M+NH4]+ 156.07674 130.6
[M+K]+ 177.00608 131.3
[M-H]- 137.03564 120.6
[M+Na-2H]- 159.01759 129.2
[M]+ 138.04237 125.3
[M]- 138.04347 125.3
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

No patent data available for this compound.