CID 37583

4-cyanobenzylidenemalononitrile

Structural Information

Molecular Formula
C11H5N3
SMILES
C1=CC(=CC=C1C=C(C#N)C#N)C#N
InChI
InChI=1S/C11H5N3/c12-6-10-3-1-9(2-4-10)5-11(7-13)8-14/h1-5H
InChIKey
UUKLIKUNCGVVHN-UHFFFAOYSA-N
Compound name
2-[(4-cyanophenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

179.04834 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05562 166.7
[M+Na]+ 202.03756 174.6
[M-H]- 178.04106 170.5
[M+NH4]+ 197.08216 174.5
[M+K]+ 218.01150 170.9
[M+H-H2O]+ 162.04560 153.7
[M+HCOO]- 224.04654 172.2
[M+CH3COO]- 238.06219 233.4
[M+Na-2H]- 200.02301 165.5
[M]+ 179.04779 158.5
[M]- 179.04889 158.5
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