CID 23146

1-naphthaleneacetic acid, alpha-sec-butyl-alpha-(2-(dimethylamino)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C20H27NO2
SMILES
CCC(C)C(CCN(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C20H27NO2/c1-5-15(2)20(19(22)23,13-14-21(3)4)18-12-8-10-16-9-6-7-11-17(16)18/h6-12,15H,5,13-14H2,1-4H3,(H,22,23)
InChIKey
KSEILZVMRGTXBO-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2042 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 177.3
[M+Na]+ 336.19342 187.8
[M+NH4]+ 331.23802 184.5
[M+K]+ 352.16736 181.9
[M-H]- 312.19692 179.3
[M+Na-2H]- 334.17887 182.2
[M]+ 313.20365 179.3
[M]- 313.20475 179.3
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.