CID 72878

3,5-dimethoxybenzamide

Structural Information

Molecular Formula
C9H11NO3
SMILES
COC1=CC(=CC(=C1)C(=O)N)OC
InChI
InChI=1S/C9H11NO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H2,10,11)
InChIKey
YTLRWVNYANKXOW-UHFFFAOYSA-N
Compound name
3,5-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

458
Patents

181.0739 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 136.1
[M+Na]+ 204.063118 144.4
[M-H]- 180.066624 139.9
[M+NH4]+ 199.107723 155.8
[M+K]+ 220.037058 143.6
[M+H-H2O]+ 164.071160 130.2
[M+HCOO]- 226.072101 160.9
[M+CH3COO]- 240.087751 183.9
[M+Na-2H]- 202.048566 140.9
[M]+ 181.07335142 138.0
[M]- 181.07444858 138.0
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