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

15
Patents

186.04292 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05020 156.2
[M+Na]+ 209.03214 166.1
[M-H]- 185.03564 158.3
[M+NH4]+ 204.07674 168.4
[M+K]+ 225.00608 162.3
[M+H-H2O]+ 169.04018 141.8
[M+HCOO]- 231.04112 167.2
[M+CH3COO]- 245.05677 211.6
[M+Na-2H]- 207.01759 157.2
[M]+ 186.04237 147.1
[M]- 186.04347 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