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]+ 136.050536 124.8
[M+Na]+ 158.032478 136.0
[M-H]- 134.035984 127.1
[M+NH4]+ 153.077083 143.2
[M+K]+ 174.006418 134.8
[M+H-H2O]+ 118.040520 111.7
[M+HCOO]- 180.041461 145.6
[M+CH3COO]- 194.057111 186.7
[M+Na-2H]- 156.017926 130.5
[M]+ 135.04271142 119.8
[M]- 135.04380858 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.