CID 23148

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

Structural Information

Molecular Formula
C17H21NO2
SMILES
CC(CCN(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C17H21NO2/c1-17(16(19)20,11-12-18(2)3)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKey
LHAGSZDQDDZIGA-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-methyl-2-naphthalen-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 164.2
[M+Na]+ 294.14645 175.7
[M+NH4]+ 289.19105 172.1
[M+K]+ 310.12039 169.6
[M-H]- 270.14995 166.5
[M+Na-2H]- 292.13190 170.2
[M]+ 271.15668 166.5
[M]- 271.15778 166.5
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.