CID 263677

2-(4-methylbenzylidene)malononitrile

Structural Information

Molecular Formula
C11H8N2
SMILES
CC1=CC=C(C=C1)C=C(C#N)C#N
InChI
InChI=1S/C11H8N2/c1-9-2-4-10(5-3-9)6-11(7-12)8-13/h2-6H,1H3
InChIKey
JIFVPBALUHDGEP-UHFFFAOYSA-N
Compound name
2-[(4-methylphenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

168.06874 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07602 152.9
[M+Na]+ 191.05796 162.8
[M-H]- 167.06146 156.4
[M+NH4]+ 186.10256 166.4
[M+K]+ 207.03190 158.5
[M+H-H2O]+ 151.06600 138.0
[M+HCOO]- 213.06694 165.3
[M+CH3COO]- 227.08259 213.5
[M+Na-2H]- 189.04341 154.8
[M]+ 168.06819 144.4
[M]- 168.06929 144.4
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