CID 183806

70585-60-3

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

C1CCN(C1)CCCC(=O)C2=C(C=C(C=C2O)O)O

InChI

InChI=1S/C14H19NO4/c16-10-8-12(18)14(13(19)9-10)11(17)4-3-7-15-5-1-2-6-15/h8-9,16,18-19H,1-7H2

InChIKey

BAWROKQOTBLQSB-UHFFFAOYSA-N

Compound name

4-pyrrolidin-1-yl-1-(2,4,6-trihydroxyphenyl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 6
Patents: 265.1314 Da
Monoisotopic Mass: 1.9
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	161.0
[M+Na]+	288.120618	166.5
[M-H]-	264.124124	162.2
[M+NH4]+	283.165223	175.9
[M+K]+	304.094558	162.7
[M+H-H2O]+	248.128660	154.2
[M+HCOO]-	310.129601	177.4
[M+CH3COO]-	324.145251	189.7
[M+Na-2H]-	286.106066	160.1
[M]+	265.13085142	158.6
[M]-	265.13194858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe