CID 2814559

Mfcd00159025

Structural Information

Molecular Formula
C9H8N4O
SMILES
C1=CC=C(C=C1)NN=C(C#N)C(=O)N
InChI
InChI=1S/C9H8N4O/c10-6-8(9(11)14)13-12-7-4-2-1-3-5-7/h1-5,12H,(H2,11,14)
InChIKey
RCCUREMCNYCTHN-UHFFFAOYSA-N
Compound name
2-amino-N-anilino-2-oxoethanimidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06981 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07709 146.3
[M+Na]+ 211.05903 153.3
[M-H]- 187.06253 149.7
[M+NH4]+ 206.10363 162.6
[M+K]+ 227.03297 151.5
[M+H-H2O]+ 171.06707 132.4
[M+HCOO]- 233.06801 168.8
[M+CH3COO]- 247.08366 202.1
[M+Na-2H]- 209.04448 150.9
[M]+ 188.06926 138.2
[M]- 188.07036 138.2
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.