CID 5411

Tetracaine

Structural Information

Molecular Formula

C₁₅H₂₄N₂O₂

SMILES

CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C

InChI

InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3

InChIKey

GKCBAIGFKIBETG-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 4-(butylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 3019
References: 69577
Patents: 264.18378 Da
Monoisotopic Mass: 3.7
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]+	265.191056	165.4
[M+Na]+	287.172998	169.5
[M-H]-	263.176504	169.6
[M+NH4]+	282.217603	182.1
[M+K]+	303.146938	168.4
[M+H-H2O]+	247.181040	157.5
[M+HCOO]-	309.181981	190.1
[M+CH3COO]-	323.197631	207.2
[M+Na-2H]-	285.158446	168.2
[M]+	264.18323142	169.0
[M]-	264.18432858	169.0

Literature stripe

literature stripe

Patent stripe

patents stripe