CID 437073

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

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCCCCC(=O)C(CC1=CC=CC=C1)N
InChI
InChI=1S/C15H23NO/c1-2-3-4-8-11-15(17)14(16)12-13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12,16H2,1H3
InChIKey
BYYREEOEGVJVBN-UHFFFAOYSA-N
Compound name
2-amino-1-phenylnonan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 158.7
[M+Na]+ 256.16718 168.7
[M+NH4]+ 251.21178 166.2
[M+K]+ 272.14112 161.8
[M-H]- 232.17068 160.8
[M+Na-2H]- 254.15263 163.7
[M]+ 233.17741 160.5
[M]- 233.17851 160.5
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.