CID 129962034

1261470-65-8

Structural Information

Molecular Formula
C13H13NO2
SMILES
COC(=O)CC1=CC2=C(C=C1)C=C(C=C2)N
InChI
InChI=1S/C13H13NO2/c1-16-13(15)7-9-2-3-11-8-12(14)5-4-10(11)6-9/h2-6,8H,7,14H2,1H3
InChIKey
AYGAVOOXFRSYOA-UHFFFAOYSA-N
Compound name
methyl 2-(6-aminonaphthalen-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09464 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.101916 146.3
[M+Na]+ 238.083858 154.4
[M-H]- 214.087364 150.6
[M+NH4]+ 233.128463 165.7
[M+K]+ 254.057798 151.4
[M+H-H2O]+ 198.091900 139.9
[M+HCOO]- 260.092841 169.5
[M+CH3COO]- 274.108491 190.7
[M+Na-2H]- 236.069306 152.3
[M]+ 215.09409142 146.9
[M]- 215.09518858 146.9
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.