CID 213753

Brn 1471472

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

0
Patents

247.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 158.7
[M+Na]+ 270.14645 165.2
[M-H]- 246.14995 162.6
[M+NH4]+ 265.19105 177.9
[M+K]+ 286.12039 161.9
[M+H-H2O]+ 230.15449 152.2
[M+HCOO]- 292.15543 177.6
[M+CH3COO]- 306.17108 190.9
[M+Na-2H]- 268.13190 159.9
[M]+ 247.15668 157.3
[M]- 247.15778 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