CID 135580621

F 2321

Structural Information

Molecular Formula
C11H9N5O
SMILES
C/C(=N\O)/C1=CC=C(C=C1)N=NC(C#N)C#N
InChI
InChI=1S/C11H9N5O/c1-8(16-17)9-2-4-10(5-3-9)14-15-11(6-12)7-13/h2-5,11,17H,1H3/b15-14?,16-8+
InChIKey
PFXWDESHFSKJSJ-GGKHHZKMSA-N
Compound name
2-[[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0807 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08798 182.2
[M+Na]+ 250.06992 188.9
[M+NH4]+ 245.11452 181.9
[M+K]+ 266.04386 178.5
[M-H]- 226.07342 172.9
[M+Na-2H]- 248.05537 180.8
[M]+ 227.08015 179.0
[M]- 227.08125 179.0
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.