CID 10330295

2-(ethylamino)-4,5-dihydroxybenzamide

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CCNC1=CC(=C(C=C1C(=O)N)O)O
InChI
InChI=1S/C9H12N2O3/c1-2-11-6-4-8(13)7(12)3-5(6)9(10)14/h3-4,11-13H,2H2,1H3,(H2,10,14)
InChIKey
VAWDXOCBSZJIEL-UHFFFAOYSA-N
Compound name
2-(ethylamino)-4,5-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

196.0848 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 141.1
[M+Na]+ 219.07402 148.5
[M-H]- 195.07752 142.3
[M+NH4]+ 214.11862 158.6
[M+K]+ 235.04796 146.0
[M+H-H2O]+ 179.08206 135.3
[M+HCOO]- 241.08300 163.8
[M+CH3COO]- 255.09865 185.6
[M+Na-2H]- 217.05947 144.3
[M]+ 196.08425 138.8
[M]- 196.08535 138.8
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