CID 389097

Nsc684782

Structural Information

Molecular Formula
C8H11N3O3
SMILES
COCCOCC1=NC(=C(O1)N)C#N
InChI
InChI=1S/C8H11N3O3/c1-12-2-3-13-5-7-11-6(4-9)8(10)14-7/h2-3,5,10H2,1H3
InChIKey
HJPDBFMRNGBQID-UHFFFAOYSA-N
Compound name
5-amino-2-(2-methoxyethoxymethyl)-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.08005 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.08733 136.0
[M+Na]+ 220.06927 145.9
[M-H]- 196.07277 137.9
[M+NH4]+ 215.11387 152.2
[M+K]+ 236.04321 145.9
[M+H-H2O]+ 180.07731 122.3
[M+HCOO]- 242.07825 156.6
[M+CH3COO]- 256.09390 196.8
[M+Na-2H]- 218.05472 141.2
[M]+ 197.07950 134.9
[M]- 197.08060 134.9
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.