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

67
Patents

215.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 146.8
[M+Na]+ 238.08386 153.7
[M-H]- 214.08736 150.8
[M+NH4]+ 233.12846 165.8
[M+K]+ 254.05780 151.1
[M+H-H2O]+ 198.09190 140.3
[M+HCOO]- 260.09284 168.9
[M+CH3COO]- 274.10849 190.5
[M+Na-2H]- 236.06931 152.3
[M]+ 215.09409 146.4
[M]- 215.09519 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