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 120.8
[M+Na]+ 161.03214 131.9
[M-H]- 137.03564 123.3
[M+NH4]+ 156.07674 139.6
[M+K]+ 177.00608 131.9
[M+H-H2O]+ 121.04018 107.9
[M+HCOO]- 183.04112 141.5
[M+CH3COO]- 197.05677 184.6
[M+Na-2H]- 159.01759 128.3
[M]+ 138.04237 119.1
[M]- 138.04347 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.