CID 222006

4-ethoxy-n-(2-methylpropyl)benzamide

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCOC1=CC=C(C=C1)C(=O)NCC(C)C
InChI
InChI=1S/C13H19NO2/c1-4-16-12-7-5-11(6-8-12)13(15)14-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15)
InChIKey
CPABGRYUYDOHDX-UHFFFAOYSA-N
Compound name
4-ethoxy-N-(2-methylpropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

221.14159 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 152.3
[M+Na]+ 244.130808 157.9
[M-H]- 220.134314 155.7
[M+NH4]+ 239.175413 170.5
[M+K]+ 260.104748 156.4
[M+H-H2O]+ 204.138850 145.7
[M+HCOO]- 266.139791 175.3
[M+CH3COO]- 280.155441 193.6
[M+Na-2H]- 242.116256 155.4
[M]+ 221.14104142 154.2
[M]- 221.14213858 154.2
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

No patent data available for this compound.