CID 157211

Etilefrine pivalate

Structural Information

Molecular Formula

C₁₅H₂₃NO₃

SMILES

CCNCC(C1=CC(=CC=C1)OC(=O)C(C)(C)C)O

InChI

InChI=1S/C15H23NO3/c1-5-16-10-13(17)11-7-6-8-12(9-11)19-14(18)15(2,3)4/h6-9,13,16-17H,5,10H2,1-4H3

InChIKey

DRMHNJGOEAYOIZ-UHFFFAOYSA-N

Compound name

[3-[2-(ethylamino)-1-hydroxyethyl]phenyl] 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 224
References: 13
Patents: 265.1678 Da
Monoisotopic Mass: 2.2
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]+	266.175076	164.4
[M+Na]+	288.157018	169.1
[M-H]-	264.160524	166.3
[M+NH4]+	283.201623	180.2
[M+K]+	304.130958	167.4
[M+H-H2O]+	248.165060	158.2
[M+HCOO]-	310.166001	183.9
[M+CH3COO]-	324.181651	198.9
[M+Na-2H]-	286.142466	166.9
[M]+	265.16725142	166.0
[M]-	265.16834858	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe