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]+ 272.164506 164.4
[M+Na]+ 294.146448 169.8
[M-H]- 270.149954 168.4
[M+NH4]+ 289.191053 181.3
[M+K]+ 310.120388 167.2
[M+H-H2O]+ 254.154490 157.7
[M+HCOO]- 316.155431 184.2
[M+CH3COO]- 330.171081 204.1
[M+Na-2H]- 292.131896 169.6
[M]+ 271.15668142 166.0
[M]- 271.15777858 166.0
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.