CID 4019811

Methyl 2-amino-2-(naphthalen-1-yl)acetate hydrochloride

Structural Information

Molecular Formula
C13H13NO2
SMILES
COC(=O)C(C1=CC=CC2=CC=CC=C21)N
InChI
InChI=1S/C13H13NO2/c1-16-13(15)12(14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,14H2,1H3
InChIKey
LTASPYVMQCESLM-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-naphthalen-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

68
Patents

215.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.101916 146.8
[M+Na]+ 238.083858 153.7
[M-H]- 214.087364 150.8
[M+NH4]+ 233.128463 165.8
[M+K]+ 254.057798 151.1
[M+H-H2O]+ 198.091900 140.3
[M+HCOO]- 260.092841 168.9
[M+CH3COO]- 274.108491 190.5
[M+Na-2H]- 236.069306 152.3
[M]+ 215.09409142 146.4
[M]- 215.09518858 146.4
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

patents stripe