CID 28130

16899-82-4

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

C1CCN(C1)CC(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C12H15NO3/c14-10-4-3-9(7-11(10)15)12(16)8-13-5-1-2-6-13/h3-4,7,14-15H,1-2,5-6,8H2

InChIKey

KSZQAZXCZAHBPB-UHFFFAOYSA-N

Compound name

1-(3,4-dihydroxyphenyl)-2-pyrrolidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 221.1052 Da
Monoisotopic Mass: 1.5
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]+	222.11248	150.2
[M+Na]+	244.09442	160.3
[M+NH4]+	239.13902	157.0
[M+K]+	260.06836	157.3
[M-H]-	220.09792	151.2
[M+Na-2H]-	242.07987	154.7
[M]+	221.10465	151.5
[M]-	221.10575	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe