CID 98487

3-methoxybenzamide

Structural Information

Molecular Formula
C8H9NO2
SMILES
COC1=CC=CC(=C1)C(=O)N
InChI
InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey
VKPLPDIMEREJJF-UHFFFAOYSA-N
Compound name
3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

89
References

2714
Patents

151.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 129.0
[M+Na]+ 174.052538 136.9
[M-H]- 150.056044 132.6
[M+NH4]+ 169.097143 149.7
[M+K]+ 190.026478 135.7
[M+H-H2O]+ 134.060580 123.3
[M+HCOO]- 196.061521 153.9
[M+CH3COO]- 210.077171 177.6
[M+Na-2H]- 172.037986 135.0
[M]+ 151.06277142 128.7
[M]- 151.06386858 128.7
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