CID 116659

Propanedinitrile, ((2-methyl-4-nitrophenyl)hydrazono)-

Structural Information

Molecular Formula
C10H7N5O2
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])NN=C(C#N)C#N
InChI
InChI=1S/C10H7N5O2/c1-7-4-9(15(16)17)2-3-10(7)14-13-8(5-11)6-12/h2-4,14H,1H3
InChIKey
TXEGJMKARLVHJF-UHFFFAOYSA-N
Compound name
2-[(2-methyl-4-nitrophenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.05997 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06725 178.2
[M+Na]+ 252.04919 185.8
[M+NH4]+ 247.09379 178.1
[M+K]+ 268.02313 177.2
[M-H]- 228.05269 169.5
[M+Na-2H]- 250.03464 176.7
[M]+ 229.05942 175.4
[M]- 229.06052 175.4
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.