CID 71300568

Einecs 304-429-7

Structural Information

Molecular Formula
C8H7N5O2
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])N=NNC#N
InChI
InChI=1S/C8H7N5O2/c1-6-4-7(13(14)15)2-3-8(6)11-12-10-5-9/h2-4H,1H3,(H,10,11)
InChIKey
BSAGCFIQELKZPY-UHFFFAOYSA-N
Compound name
[(2-methyl-4-nitrophenyl)diazenyl]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.05997 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.067246 146.3
[M+Na]+ 228.049188 154.4
[M-H]- 204.052694 151.7
[M+NH4]+ 223.093793 162.5
[M+K]+ 244.023128 150.1
[M+H-H2O]+ 188.057230 136.4
[M+HCOO]- 250.058171 173.1
[M+CH3COO]- 264.073821 202.7
[M+Na-2H]- 226.034636 154.5
[M]+ 205.05942142 140.5
[M]- 205.06051858 140.5
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.