CID 22889

Alpha-(2-(dimethylamino)ethyl)-1-naphthaleneacetic acid hydrochloride

Structural Information

Molecular Formula
C16H19NO2
SMILES
CN(C)CCC(C1=CC=CC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C16H19NO2/c1-17(2)11-10-15(16(18)19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,10-11H2,1-2H3,(H,18,19)
InChIKey
BUUIFYJDAKNVJA-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-naphthalen-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

257.14157 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 160.2
[M+Na]+ 280.13079 165.3
[M-H]- 256.13429 164.2
[M+NH4]+ 275.17539 177.5
[M+K]+ 296.10473 163.0
[M+H-H2O]+ 240.13883 153.1
[M+HCOO]- 302.13977 180.9
[M+CH3COO]- 316.15542 201.7
[M+Na-2H]- 278.11624 163.9
[M]+ 257.14102 161.3
[M]- 257.14212 161.3
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

patents stripe