CID 121596246

1-(2-aminophenyl)decane-1,3-dione

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCCCCCCC(=O)CC(=O)C1=CC=CC=C1N
InChI
InChI=1S/C16H23NO2/c1-2-3-4-5-6-9-13(18)12-16(19)14-10-7-8-11-15(14)17/h7-8,10-11H,2-6,9,12,17H2,1H3
InChIKey
ZJDQJGJPYGJSGW-UHFFFAOYSA-N
Compound name
1-(2-aminophenyl)decane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

13
Patents

261.17288 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 164.8
[M+Na]+ 284.16210 174.6
[M+NH4]+ 279.20670 171.3
[M+K]+ 300.13604 168.2
[M-H]- 260.16560 166.1
[M+Na-2H]- 282.14755 168.9
[M]+ 261.17233 166.3
[M]- 261.17343 166.3
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

patents stripe