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]+ 228.087976 166.3
[M+Na]+ 250.069918 173.8
[M-H]- 226.073424 170.5
[M+NH4]+ 245.114523 177.6
[M+K]+ 266.043858 172.1
[M+H-H2O]+ 210.077960 149.5
[M+HCOO]- 272.078901 181.3
[M+CH3COO]- 286.094551 227.4
[M+Na-2H]- 248.055366 167.6
[M]+ 227.08015142 158.0
[M]- 227.08124858 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.