CID 163195977

2-(ethylamino)-1-phenylheptan-1-one

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCCCC(C(=O)C1=CC=CC=C1)NCC
InChI
InChI=1S/C15H23NO/c1-3-5-7-12-14(16-4-2)15(17)13-10-8-6-9-11-13/h6,8-11,14,16H,3-5,7,12H2,1-2H3
InChIKey
KCDBNUUMBCYCQC-UHFFFAOYSA-N
Compound name
2-(ethylamino)-1-phenylheptan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 158.8
[M+Na]+ 256.16718 162.5
[M-H]- 232.17068 161.3
[M+NH4]+ 251.21178 176.1
[M+K]+ 272.14112 159.9
[M+H-H2O]+ 216.17522 151.7
[M+HCOO]- 278.17616 180.8
[M+CH3COO]- 292.19181 197.1
[M+Na-2H]- 254.15263 161.5
[M]+ 233.17741 159.6
[M]- 233.17851 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.