CID 737998

2-(amino-phenyl-methylene)-malononitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

169.064 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07128 157.8
[M+Na]+ 192.05322 166.3
[M-H]- 168.05672 160.5
[M+NH4]+ 187.09782 170.4
[M+K]+ 208.02716 162.5
[M+H-H2O]+ 152.06126 142.4
[M+HCOO]- 214.06220 169.7
[M+CH3COO]- 228.07785 214.1
[M+Na-2H]- 190.03867 158.6
[M]+ 169.06345 147.0
[M]- 169.06455 147.0
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

patents stripe