CID 391651

Nsc691195

Structural Information

Molecular Formula
C6H4N4O
SMILES
C(C#N)C1=NC(=C(O1)N)C#N
InChI
InChI=1S/C6H4N4O/c7-2-1-5-10-4(3-8)6(9)11-5/h1,9H2
InChIKey
AFJMLHQKCDXMRA-UHFFFAOYSA-N
Compound name
5-amino-2-(cyanomethyl)-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.03851 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.045786 139.6
[M+Na]+ 171.027728 149.7
[M-H]- 147.031234 141.8
[M+NH4]+ 166.072333 152.4
[M+K]+ 187.001668 148.6
[M+H-H2O]+ 131.035770 123.3
[M+HCOO]- 193.036711 152.6
[M+CH3COO]- 207.052361 210.8
[M+Na-2H]- 169.013176 142.5
[M]+ 148.03796142 131.7
[M]- 148.03905858 131.7
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.