CID 39604

1-naphthalenecarboxylic acid, 2-(dimethylamino)ester, hydrochloride

Structural Information

Molecular Formula

C₁₅H₁₇NO₂

SMILES

CN(C)CCOC(=O)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C15H17NO2/c1-16(2)10-11-18-15(17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10-11H2,1-2H3

InChIKey

WEOWZMRUUUCDJP-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl naphthalene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 243.12593 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.133206	155.3
[M+Na]+	266.115148	161.7
[M-H]-	242.118654	160.9
[M+NH4]+	261.159753	174.1
[M+K]+	282.089088	159.9
[M+H-H2O]+	226.123190	148.0
[M+HCOO]-	288.124131	178.9
[M+CH3COO]-	302.139781	199.7
[M+Na-2H]-	264.100596	161.2
[M]+	243.12538142	158.5
[M]-	243.12647858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe