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]+ 201.06586 156.8
[M+Na]+ 223.04780 166.8
[M-H]- 199.05130 159.7
[M+NH4]+ 218.09240 169.1
[M+K]+ 239.02174 163.2
[M+H-H2O]+ 183.05584 142.1
[M+HCOO]- 245.05678 168.6
[M+CH3COO]- 259.07243 215.2
[M+Na-2H]- 221.03325 158.0
[M]+ 200.05803 149.1
[M]- 200.05913 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.