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]+ 264.19582 165.7
[M+Na]+ 286.17776 171.0
[M-H]- 262.18126 168.1
[M+NH4]+ 281.22236 182.2
[M+K]+ 302.15170 168.0
[M+H-H2O]+ 246.18580 158.6
[M+HCOO]- 308.18674 187.9
[M+CH3COO]- 322.20239 203.0
[M+Na-2H]- 284.16321 166.6
[M]+ 263.18799 168.7
[M]- 263.18909 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.