CID 170480

N-[4-(hexyloxy)phenyl]acetamide

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCCCCCOC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C14H21NO2/c1-3-4-5-6-11-17-14-9-7-13(8-10-14)15-12(2)16/h7-10H,3-6,11H2,1-2H3,(H,15,16)
InChIKey
XADSXVABHSQCOV-UHFFFAOYSA-N
Compound name
N-(4-hexoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

235.15723 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 156.6
[M+Na]+ 258.146448 161.9
[M-H]- 234.149954 159.6
[M+NH4]+ 253.191053 174.2
[M+K]+ 274.120388 159.7
[M+H-H2O]+ 218.154490 149.6
[M+HCOO]- 280.155431 180.2
[M+CH3COO]- 294.171081 195.7
[M+Na-2H]- 256.131896 160.4
[M]+ 235.15668142 159.4
[M]- 235.15777858 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe