CID 2724883

55516-54-6

Structural Information

Molecular Formula
C13H13NO2
SMILES
C1=CC=C2C(=C1)C=CC=C2C[C@@H](C(=O)O)N
InChI
InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
InChIKey
OFYAYGJCPXRNBL-LBPRGKRZSA-N
Compound name
(2S)-2-amino-3-naphthalen-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

4595
Patents

215.09464 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 146.8
[M+Na]+ 238.08386 153.1
[M-H]- 214.08736 149.4
[M+NH4]+ 233.12846 164.9
[M+K]+ 254.05780 149.7
[M+H-H2O]+ 198.09190 140.5
[M+HCOO]- 260.09284 167.4
[M+CH3COO]- 274.10849 188.7
[M+Na-2H]- 236.06931 151.8
[M]+ 215.09409 144.6
[M]- 215.09519 144.6
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