CID 10954140

N-ethyl-2,5-dihydroxybenzamide

Structural Information

Molecular Formula
C9H11NO3
SMILES
CCNC(=O)C1=C(C=CC(=C1)O)O
InChI
InChI=1S/C9H11NO3/c1-2-10-9(13)7-5-6(11)3-4-8(7)12/h3-5,11-12H,2H2,1H3,(H,10,13)
InChIKey
MEULWIKEMQGAOM-UHFFFAOYSA-N
Compound name
N-ethyl-2,5-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

181.0739 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 137.1
[M+Na]+ 204.06312 144.6
[M-H]- 180.06662 138.6
[M+NH4]+ 199.10772 155.7
[M+K]+ 220.03706 142.3
[M+H-H2O]+ 164.07116 131.6
[M+HCOO]- 226.07210 159.5
[M+CH3COO]- 240.08775 178.9
[M+Na-2H]- 202.04857 141.9
[M]+ 181.07335 136.1
[M]- 181.07445 136.1
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