CID 4416958

143049-24-5

Structural Information

Molecular Formula
C10H6N2O2
SMILES
C1=CC(=C(C=C1O)C=C(C#N)C#N)O
InChI
InChI=1S/C10H6N2O2/c11-5-7(6-12)3-8-4-9(13)1-2-10(8)14/h1-4,13-14H
InChIKey
UMASDQRQWMQSCV-UHFFFAOYSA-N
Compound name
2-[(2,5-dihydroxyphenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

186.04292 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.050196 156.2
[M+Na]+ 209.032138 166.1
[M-H]- 185.035644 158.3
[M+NH4]+ 204.076743 168.4
[M+K]+ 225.006078 162.3
[M+H-H2O]+ 169.040180 141.8
[M+HCOO]- 231.041121 167.2
[M+CH3COO]- 245.056771 211.6
[M+Na-2H]- 207.017586 157.2
[M]+ 186.04237142 147.1
[M]- 186.04346858 147.1
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

patents stripe