CID 3039123

4-(2-(dimethylamino)ethyl)-1,2-benzenediol diacetate hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

CC(=O)OC1=C(C=C(C=C1)CCN(C)C)OC(=O)C

InChI

InChI=1S/C14H19NO4/c1-10(16)18-13-6-5-12(7-8-15(3)4)9-14(13)19-11(2)17/h5-6,9H,7-8H2,1-4H3

InChIKey

TVXVQCWDWWDOAX-UHFFFAOYSA-N

Compound name

[2-acetyloxy-4-[2-(dimethylamino)ethyl]phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 265.1314 Da
Monoisotopic Mass: 1.3
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]+	266.138676	160.2
[M+Na]+	288.120618	166.6
[M-H]-	264.124124	165.3
[M+NH4]+	283.165223	177.4
[M+K]+	304.094558	166.9
[M+H-H2O]+	248.128660	153.2
[M+HCOO]-	310.129601	184.0
[M+CH3COO]-	324.145251	203.9
[M+Na-2H]-	286.106066	161.6
[M]+	265.13085142	166.2
[M]-	265.13194858	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe