CID 9291934

Methyl (2s)-2-amino-3-(naphthalen-2-yl)propanoate hydrochloride

Structural Information

Molecular Formula
C14H15NO2
SMILES
COC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)N
InChI
InChI=1S/C14H15NO2/c1-17-14(16)13(15)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8,13H,9,15H2,1H3/t13-/m0/s1
InChIKey
NJPNWMZBNBROPE-ZDUSSCGKSA-N
Compound name
methyl (2S)-2-amino-3-naphthalen-2-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

229.11028 Da
Monoisotopic Mass

2.4
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

literature stripe

Patent stripe

patents stripe