CID 66971611

Oh-mpbp

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCC(C(=O)C1=CC=C(C=C1)CO)N2CCCC2
InChI
InChI=1S/C15H21NO2/c1-2-14(16-9-3-4-10-16)15(18)13-7-5-12(11-17)6-8-13/h5-8,14,17H,2-4,9-11H2,1H3
InChIKey
ZBSFZTIXEWEODS-UHFFFAOYSA-N
Compound name
1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

247.15723 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 160.0
[M+Na]+ 270.14645 164.1
[M-H]- 246.14995 163.2
[M+NH4]+ 265.19105 176.5
[M+K]+ 286.12039 161.1
[M+H-H2O]+ 230.15449 152.5
[M+HCOO]- 292.15543 177.8
[M+CH3COO]- 306.17108 191.7
[M+Na-2H]- 268.13190 159.4
[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

literature stripe

Patent stripe

patents stripe