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

10
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

literature stripe

Patent stripe

patents stripe