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]+ 216.10192 146.3
[M+Na]+ 238.08386 154.4
[M-H]- 214.08736 150.6
[M+NH4]+ 233.12846 165.7
[M+K]+ 254.05780 151.4
[M+H-H2O]+ 198.09190 139.9
[M+HCOO]- 260.09284 169.5
[M+CH3COO]- 274.10849 190.7
[M+Na-2H]- 236.06931 152.3
[M]+ 215.09409 146.9
[M]- 215.09519 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.