CID 7014973

2829292-61-5

Structural Information

Molecular Formula
C14H15NO2
SMILES
COC(=O)C[C@H](C1=CC=CC2=CC=CC=C21)N
InChI
InChI=1S/C14H15NO2/c1-17-14(16)9-13(15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13H,9,15H2,1H3/t13-/m1/s1
InChIKey
SWRJDUCBRJSBRL-CYBMUJFWSA-N
Compound name
methyl (3R)-3-amino-3-naphthalen-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

229.11028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 151.5
[M+Na]+ 252.09950 157.9
[M-H]- 228.10300 155.3
[M+NH4]+ 247.14410 169.9
[M+K]+ 268.07344 155.2
[M+H-H2O]+ 212.10754 144.8
[M+HCOO]- 274.10848 173.3
[M+CH3COO]- 288.12413 193.5
[M+Na-2H]- 250.08495 156.5
[M]+ 229.10973 151.4
[M]- 229.11083 151.4
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.