CID 81897

N-ethyl-4-methoxybenzamide

Structural Information

Molecular Formula
C10H13NO2
SMILES
CCNC(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C10H13NO2/c1-3-11-10(12)8-4-6-9(13-2)7-5-8/h4-7H,3H2,1-2H3,(H,11,12)
InChIKey
KIOWCVBPJXEJLN-UHFFFAOYSA-N
Compound name
N-ethyl-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

109
Patents

179.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 137.9
[M+Na]+ 202.08386 145.0
[M-H]- 178.08736 141.8
[M+NH4]+ 197.12846 157.9
[M+K]+ 218.05780 143.8
[M+H-H2O]+ 162.09190 131.8
[M+HCOO]- 224.09284 162.9
[M+CH3COO]- 238.10849 183.6
[M+Na-2H]- 200.06931 144.0
[M]+ 179.09409 139.3
[M]- 179.09519 139.3
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