CID 377496

5-amino-2-(methoxymethyl)-1,3-oxazole-4-carbonitrile

Structural Information

Molecular Formula
C6H7N3O2
SMILES
COCC1=NC(=C(O1)N)C#N
InChI
InChI=1S/C6H7N3O2/c1-10-3-5-9-4(2-7)6(8)11-5/h3,8H2,1H3
InChIKey
PMBKWQNVSZSTJV-UHFFFAOYSA-N
Compound name
5-amino-2-(methoxymethyl)-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.05383 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 126.4
[M+Na]+ 176.04305 137.2
[M-H]- 152.04655 128.7
[M+NH4]+ 171.08765 144.2
[M+K]+ 192.01699 137.1
[M+H-H2O]+ 136.05109 113.2
[M+HCOO]- 198.05203 147.3
[M+CH3COO]- 212.06768 189.4
[M+Na-2H]- 174.02850 132.4
[M]+ 153.05328 123.3
[M]- 153.05438 123.3
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.