CID 5276839

Decyl 2-amino-3-(4-methoxyphenyl)propanoate

Structural Information

Molecular Formula
C20H33NO3
SMILES
CCCCCCCCCCOC(=O)C(CC1=CC=C(C=C1)OC)N
InChI
InChI=1S/C20H33NO3/c1-3-4-5-6-7-8-9-10-15-24-20(22)19(21)16-17-11-13-18(23-2)14-12-17/h11-14,19H,3-10,15-16,21H2,1-2H3
InChIKey
BHJGGMQLFRXYIS-UHFFFAOYSA-N
Compound name
decyl 2-amino-3-(4-methoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.24603 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.25331 188.1
[M+Na]+ 358.23525 190.4
[M-H]- 334.23875 189.4
[M+NH4]+ 353.27985 201.1
[M+K]+ 374.20919 187.4
[M+H-H2O]+ 318.24329 179.7
[M+HCOO]- 380.24423 208.1
[M+CH3COO]- 394.25988 215.9
[M+Na-2H]- 356.22070 186.3
[M]+ 335.24548 192.8
[M]- 335.24658 192.8
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.