CID 3018374

Ethyl 4-amino-5-cyano-2-hydroxybenzoate

Structural Information

Molecular Formula
C10H10N2O3
SMILES
CCOC(=O)C1=C(C=C(C(=C1)C#N)N)O
InChI
InChI=1S/C10H10N2O3/c1-2-15-10(14)7-3-6(5-11)8(12)4-9(7)13/h3-4,13H,2,12H2,1H3
InChIKey
JBTCEUXHFCUMJC-UHFFFAOYSA-N
Compound name
ethyl 4-amino-5-cyano-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

206.06914 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 146.1
[M+Na]+ 229.058358 156.2
[M-H]- 205.061864 148.4
[M+NH4]+ 224.102963 162.4
[M+K]+ 245.032298 153.8
[M+H-H2O]+ 189.066400 134.0
[M+HCOO]- 251.067341 165.4
[M+CH3COO]- 265.082991 198.1
[M+Na-2H]- 227.043806 148.7
[M]+ 206.06859142 141.5
[M]- 206.06968858 141.5
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