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
2
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 153.7
[M+Na]+ 258.11007 159.1
[M-H]- 234.11357 156.3
[M+NH4]+ 253.15467 170.3
[M+K]+ 274.08401 156.3
[M+H-H2O]+ 218.11811 147.0
[M+HCOO]- 280.11905 170.9
[M+CH3COO]- 294.13470 186.5
[M+Na-2H]- 256.09552 153.2
[M]+ 235.12030 150.3
[M]- 235.12140 150.3
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.