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

47
Patents

206.06914 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 146.1
[M+Na]+ 229.05836 156.2
[M-H]- 205.06186 148.4
[M+NH4]+ 224.10296 162.4
[M+K]+ 245.03230 153.8
[M+H-H2O]+ 189.06640 134.0
[M+HCOO]- 251.06734 165.4
[M+CH3COO]- 265.08299 198.1
[M+Na-2H]- 227.04381 148.7
[M]+ 206.06859 141.5
[M]- 206.06969 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