CID 43269

2-butoxybenzamide

Structural Information

Molecular Formula
C11H15NO2
SMILES
CCCCOC1=CC=CC=C1C(=O)N
InChI
InChI=1S/C11H15NO2/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7H,2-3,8H2,1H3,(H2,12,13)
InChIKey
VPTQXJGFCHOGAN-UHFFFAOYSA-N
Compound name
2-butoxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

77
Patents

193.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.0
[M+Na]+ 216.09950 149.6
[M-H]- 192.10300 146.0
[M+NH4]+ 211.14410 162.0
[M+K]+ 232.07344 147.7
[M+H-H2O]+ 176.10754 136.6
[M+HCOO]- 238.10848 167.0
[M+CH3COO]- 252.12413 186.7
[M+Na-2H]- 214.08495 147.4
[M]+ 193.10973 143.8
[M]- 193.11083 143.8
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