CID 389345

Nsc685298

Structural Information

Molecular Formula
C6H5N3O
SMILES
C=CC1=NC(=C(O1)N)C#N
InChI
InChI=1S/C6H5N3O/c1-2-5-9-4(3-7)6(8)10-5/h2H,1,8H2
InChIKey
MUCVMTGUEHCCHA-UHFFFAOYSA-N
Compound name
5-amino-2-ethenyl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.04326 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05054 124.8
[M+Na]+ 158.03248 136.0
[M-H]- 134.03598 127.1
[M+NH4]+ 153.07708 143.2
[M+K]+ 174.00642 134.8
[M+H-H2O]+ 118.04052 111.7
[M+HCOO]- 180.04146 145.6
[M+CH3COO]- 194.05711 186.7
[M+Na-2H]- 156.01793 130.5
[M]+ 135.04271 119.8
[M]- 135.04381 119.8
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.