CID 37585

Malononitrile, (2-hydroxy-3-methoxybenzylidene)-

Structural Information

Molecular Formula
C11H8N2O2
SMILES
COC1=CC=CC(=C1O)C=C(C#N)C#N
InChI
InChI=1S/C11H8N2O2/c1-15-10-4-2-3-9(11(10)14)5-8(6-12)7-13/h2-5,14H,1H3
InChIKey
FLKSNFNDQCADDI-UHFFFAOYSA-N
Compound name
2-[(2-hydroxy-3-methoxyphenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.05858 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.065856 156.8
[M+Na]+ 223.047798 166.8
[M-H]- 199.051304 159.7
[M+NH4]+ 218.092403 169.1
[M+K]+ 239.021738 163.2
[M+H-H2O]+ 183.055840 142.1
[M+HCOO]- 245.056781 168.6
[M+CH3COO]- 259.072431 215.2
[M+Na-2H]- 221.033246 158.0
[M]+ 200.05803142 149.1
[M]- 200.05912858 149.1
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.