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 159.4
[M+Na]+ 256.16718 163.1
[M-H]- 232.17068 161.4
[M+NH4]+ 251.21178 176.4
[M+K]+ 272.14112 160.1
[M+H-H2O]+ 216.17522 152.3
[M+HCOO]- 278.17616 180.7
[M+CH3COO]- 292.19181 196.5
[M+Na-2H]- 254.15263 161.0
[M]+ 233.17741 159.1
[M]- 233.17851 159.1
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.