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]+ 153.06586 124.9
[M+Na]+ 175.04780 135.6
[M-H]- 151.05130 127.2
[M+NH4]+ 170.09240 143.1
[M+K]+ 191.02174 135.3
[M+H-H2O]+ 135.05584 111.8
[M+HCOO]- 197.05678 145.3
[M+CH3COO]- 211.07243 187.3
[M+Na-2H]- 173.03325 131.9
[M]+ 152.05803 123.5
[M]- 152.05913 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