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
1
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]+ 234.185236 158.8
[M+Na]+ 256.167178 162.5
[M-H]- 232.170684 161.3
[M+NH4]+ 251.211783 176.1
[M+K]+ 272.141118 159.9
[M+H-H2O]+ 216.175220 151.7
[M+HCOO]- 278.176161 180.8
[M+CH3COO]- 292.191811 197.1
[M+Na-2H]- 254.152626 161.5
[M]+ 233.17741142 159.6
[M]- 233.17850858 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.