CID 379437

Nsc663983

Structural Information

Molecular Formula
C14H12N2O2
SMILES
COC1=CC(=CC(=C1O)CC=C)C=C(C#N)C#N
InChI
InChI=1S/C14H12N2O2/c1-3-4-12-6-10(5-11(8-15)9-16)7-13(18-2)14(12)17/h3,5-7,17H,1,4H2,2H3
InChIKey
IWZKWPIPONOHQI-UHFFFAOYSA-N
Compound name
2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.08987 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 165.4
[M+Na]+ 263.07909 175.2
[M-H]- 239.08259 168.2
[M+NH4]+ 258.12369 176.8
[M+K]+ 279.05303 170.9
[M+H-H2O]+ 223.08713 150.5
[M+HCOO]- 285.08807 176.6
[M+CH3COO]- 299.10372 221.2
[M+Na-2H]- 261.06454 165.0
[M]+ 240.08932 158.1
[M]- 240.09042 158.1
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.