CID 138987656

2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile

Structural Information

Molecular Formula
C7H8N2O2
SMILES
COCC1=CC(=NO1)CC#N
InChI
InChI=1S/C7H8N2O2/c1-10-5-7-4-6(2-3-8)9-11-7/h4H,2,5H2,1H3
InChIKey
AOKDSDBOIJLREM-UHFFFAOYSA-N
Compound name
2-[5-(methoxymethyl)-1,2-oxazol-3-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

152.05858 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 124.9
[M+Na]+ 175.047798 135.6
[M-H]- 151.051304 127.2
[M+NH4]+ 170.092403 143.1
[M+K]+ 191.021738 135.3
[M+H-H2O]+ 135.055840 111.8
[M+HCOO]- 197.056781 145.3
[M+CH3COO]- 211.072431 187.3
[M+Na-2H]- 173.033246 131.9
[M]+ 152.05803142 123.5
[M]- 152.05912858 123.5
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