CID 19424

3696-12-6

Structural Information

Molecular Formula
C11H8N2O2
SMILES
COC1=C(C=CC(=C1)C=C(C#N)C#N)O
InChI
InChI=1S/C11H8N2O2/c1-15-11-5-8(2-3-10(11)14)4-9(6-12)7-13/h2-5,14H,1H3
InChIKey
WKTJJISTXUHPEQ-UHFFFAOYSA-N
Compound name
2-[(4-hydroxy-3-methoxyphenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

28
Patents

200.05858 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe