CID 129844560

1-(3,4-dimethylphenyl)-2-(ethylamino)pentan-1-one

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCC(C(=O)C1=CC(=C(C=C1)C)C)NCC
InChI
InChI=1S/C15H23NO/c1-5-7-14(16-6-2)15(17)13-9-8-11(3)12(4)10-13/h8-10,14,16H,5-7H2,1-4H3
InChIKey
VMIDGCVGMTTZLP-UHFFFAOYSA-N
Compound name
1-(3,4-dimethylphenyl)-2-(ethylamino)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.185236 157.5
[M+Na]+ 256.167178 163.1
[M-H]- 232.170684 160.8
[M+NH4]+ 251.211783 175.5
[M+K]+ 272.141118 160.6
[M+H-H2O]+ 216.175220 151.0
[M+HCOO]- 278.176161 179.5
[M+CH3COO]- 292.191811 199.5
[M+Na-2H]- 254.152626 158.9
[M]+ 233.17741142 159.1
[M]- 233.17850858 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

literature stripe

Patent stripe

No patent data available for this compound.