CID 3073899

153788-07-9

Structural Information

Molecular Formula
C18H29NO
SMILES
CCCCCCCCCC(=O)C(CC1=CC=CC=C1)N
InChI
InChI=1S/C18H29NO/c1-2-3-4-5-6-7-11-14-18(20)17(19)15-16-12-9-8-10-13-16/h8-10,12-13,17H,2-7,11,14-15,19H2,1H3
InChIKey
MDYZJODYOYMWGR-UHFFFAOYSA-N
Compound name
2-amino-1-phenyldodecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.2249 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.232176 173.1
[M+Na]+ 298.214118 175.5
[M-H]- 274.217624 174.5
[M+NH4]+ 293.258723 188.4
[M+K]+ 314.188058 171.8
[M+H-H2O]+ 258.222160 165.4
[M+HCOO]- 320.223101 193.4
[M+CH3COO]- 334.238751 205.5
[M+Na-2H]- 296.199566 173.1
[M]+ 275.22435142 173.9
[M]- 275.22544858 173.9
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.