CID 26223

Acetophenone, 5'-amino-2'-(octyloxy)-, hydrochloride

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)C(=O)C
InChI
InChI=1S/C16H25NO2/c1-3-4-5-6-7-8-11-19-16-10-9-14(17)12-15(16)13(2)18/h9-10,12H,3-8,11,17H2,1-2H3
InChIKey
UULAZGTUMKUWND-UHFFFAOYSA-N
Compound name
1-(5-amino-2-octoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 165.7
[M+Na]+ 286.177758 171.0
[M-H]- 262.181264 168.1
[M+NH4]+ 281.222363 182.2
[M+K]+ 302.151698 168.0
[M+H-H2O]+ 246.185800 158.6
[M+HCOO]- 308.186741 187.9
[M+CH3COO]- 322.202391 203.0
[M+Na-2H]- 284.163206 166.6
[M]+ 263.18799142 168.7
[M]- 263.18908858 168.7
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

No patent data available for this compound.