CID 3073892

(+-)-2-amino-1-phenyl-3-octanone hydrochloride

Structural Information

Molecular Formula
C14H21NO
SMILES
CCCCCC(=O)C(CC1=CC=CC=C1)N
InChI
InChI=1S/C14H21NO/c1-2-3-5-10-14(16)13(15)11-12-8-6-4-7-9-12/h4,6-9,13H,2-3,5,10-11,15H2,1H3
InChIKey
WHLINDYKFZSUCB-UHFFFAOYSA-N
Compound name
2-amino-1-phenyloctan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 154.2
[M+Na]+ 242.15153 164.4
[M+NH4]+ 237.19613 161.8
[M+K]+ 258.12547 157.8
[M-H]- 218.15503 156.3
[M+Na-2H]- 240.13698 159.5
[M]+ 219.16176 156.0
[M]- 219.16286 156.0
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.