CID 3071056

Beta-alanine, 3-phenyl-, nonyl ester, hydrochloride, dl-

Structural Information

Molecular Formula
C18H29NO2
SMILES
CCCCCCCCCOC(=O)CC(C1=CC=CC=C1)N
InChI
InChI=1S/C18H29NO2/c1-2-3-4-5-6-7-11-14-21-18(20)15-17(19)16-12-9-8-10-13-16/h8-10,12-13,17H,2-7,11,14-15,19H2,1H3
InChIKey
KANIHNSIFZCKKB-UHFFFAOYSA-N
Compound name
nonyl 3-amino-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.21982 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.22710 175.2
[M+Na]+ 314.20904 184.1
[M+NH4]+ 309.25364 181.5
[M+K]+ 330.18298 177.0
[M-H]- 290.21254 176.6
[M+Na-2H]- 312.19449 179.0
[M]+ 291.21927 176.5
[M]- 291.22037 176.5
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.