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]+ 149.04579 139.6
[M+Na]+ 171.02773 149.7
[M-H]- 147.03123 141.8
[M+NH4]+ 166.07233 152.4
[M+K]+ 187.00167 148.6
[M+H-H2O]+ 131.03577 123.3
[M+HCOO]- 193.03671 152.6
[M+CH3COO]- 207.05236 210.8
[M+Na-2H]- 169.01318 142.5
[M]+ 148.03796 131.7
[M]- 148.03906 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.