CID 5276841

Butyl 2-amino-3-(4-propoxyphenyl)propanoate

Structural Information

Molecular Formula
C16H25NO3
SMILES
CCCCOC(=O)C(CC1=CC=C(C=C1)OCCC)N
InChI
InChI=1S/C16H25NO3/c1-3-5-11-20-16(18)15(17)12-13-6-8-14(9-7-13)19-10-4-2/h6-9,15H,3-5,10-12,17H2,1-2H3
InChIKey
ZXCPBNNNLDBBNM-UHFFFAOYSA-N
Compound name
butyl 2-amino-3-(4-propoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.18344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 169.8
[M+Na]+ 302.17266 173.9
[M-H]- 278.17616 172.0
[M+NH4]+ 297.21726 185.2
[M+K]+ 318.14660 171.9
[M+H-H2O]+ 262.18070 162.3
[M+HCOO]- 324.18164 191.3
[M+CH3COO]- 338.19729 204.0
[M+Na-2H]- 300.15811 170.2
[M]+ 279.18289 173.1
[M]- 279.18399 173.1
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.