CID 213753

27019-33-6

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCCC1(CCN(C1)C(=O)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H21NO2/c1-3-7-15(8-9-16(11-15)12(2)17)13-5-4-6-14(18)10-13/h4-6,10,18H,3,7-9,11H2,1-2H3
InChIKey
IDGXLCNDVVVBCH-UHFFFAOYSA-N
Compound name
1-[3-(3-hydroxyphenyl)-3-propylpyrrolidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 158.7
[M+Na]+ 270.146448 165.2
[M-H]- 246.149954 162.6
[M+NH4]+ 265.191053 177.9
[M+K]+ 286.120388 161.9
[M+H-H2O]+ 230.154490 152.2
[M+HCOO]- 292.155431 177.6
[M+CH3COO]- 306.171081 190.9
[M+Na-2H]- 268.131896 159.9
[M]+ 247.15668142 157.3
[M]- 247.15777858 157.3
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

patents stripe