CID 21186619

Schembl7946750

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC(C(=O)C1=CC=C(C=C1)O)N2CCCC2
InChI
InChI=1S/C13H17NO2/c1-10(14-8-2-3-9-14)13(16)11-4-6-12(15)7-5-11/h4-7,10,15H,2-3,8-9H2,1H3
InChIKey
BXBVOHKJJYOAGK-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

219.12593 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 150.8
[M+Na]+ 242.11515 155.8
[M-H]- 218.11865 154.3
[M+NH4]+ 237.15975 168.5
[M+K]+ 258.08909 153.3
[M+H-H2O]+ 202.12319 143.6
[M+HCOO]- 264.12413 169.3
[M+CH3COO]- 278.13978 185.7
[M+Na-2H]- 240.10060 151.3
[M]+ 219.12538 147.4
[M]- 219.12648 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.