CID 22885

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

Structural Information

Molecular Formula
C18H23NO2
SMILES
CCC(CCN(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C18H23NO2/c1-4-18(17(20)21,12-13-19(2)3)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,4,12-13H2,1-3H3,(H,20,21)
InChIKey
VHQIKWZRLPQUFJ-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-ethyl-2-naphthalen-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 169.1
[M+Na]+ 308.16210 174.1
[M-H]- 284.16560 172.9
[M+NH4]+ 303.20670 185.5
[M+K]+ 324.13604 171.3
[M+H-H2O]+ 268.17014 162.2
[M+HCOO]- 330.17108 188.5
[M+CH3COO]- 344.18673 207.1
[M+Na-2H]- 306.14755 173.8
[M]+ 285.17233 171.1
[M]- 285.17343 171.1
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.