CID 598096

Propanedinitrile, 2-((4-nitrophenyl)methylene)-

Structural Information

Molecular Formula
C10H7N3
SMILES
C1=CC(=CC=C1C=C(C#N)C#N)N
InChI
InChI=1S/C10H7N3/c11-6-9(7-12)5-8-1-3-10(13)4-2-8/h1-5H,13H2
InChIKey
IOWNEECKBOJVEL-UHFFFAOYSA-N
Compound name
2-[(4-aminophenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

169.064 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07128 155.7
[M+Na]+ 192.05322 165.0
[M-H]- 168.05672 158.7
[M+NH4]+ 187.09782 168.5
[M+K]+ 208.02716 161.1
[M+H-H2O]+ 152.06126 140.5
[M+HCOO]- 214.06220 168.3
[M+CH3COO]- 228.07785 214.3
[M+Na-2H]- 190.03867 157.0
[M]+ 169.06345 145.6
[M]- 169.06455 145.6
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

patents stripe