CID 16882

Butoxycaine

Structural Information

Molecular Formula

C₁₇H₂₇NO₃

SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCCN(CC)CC

InChI

InChI=1S/C17H27NO3/c1-4-7-13-20-16-10-8-15(9-11-16)17(19)21-14-12-18(5-2)6-3/h8-11H,4-7,12-14H2,1-3H3

InChIKey

QNIUOGIMJWORNZ-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 4-butoxybenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2518
Patents: 293.1991 Da
Monoisotopic Mass: 4.6
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]+	294.20638	172.5
[M+Na]+	316.18832	182.4
[M+NH4]+	311.23292	179.0
[M+K]+	332.16226	175.8
[M-H]-	292.19182	174.2
[M+Na-2H]-	314.17377	177.0
[M]+	293.19855	174.2
[M]-	293.19965	174.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe