CID 71378089

648907-24-8

Structural Information

Molecular Formula
C13H17NO3
SMILES
CC(C(=O)C1=CC(=C(C=C1)O)O)N2CCCC2
InChI
InChI=1S/C13H17NO3/c1-9(14-6-2-3-7-14)13(17)10-4-5-11(15)12(16)8-10/h4-5,8-9,15-16H,2-3,6-7H2,1H3
InChIKey
JUUKUKFPMPTCEC-UHFFFAOYSA-N
Compound name
1-(3,4-dihydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 154.3
[M+Na]+ 258.11007 163.9
[M+NH4]+ 253.15467 160.9
[M+K]+ 274.08401 161.5
[M-H]- 234.11357 155.1
[M+Na-2H]- 256.09552 158.2
[M]+ 235.12030 155.5
[M]- 235.12140 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.