CID 217420

38906-59-1

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCC(=O)C1(CCN(C1)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C14H19NO2/c1-3-13(17)14(7-8-15(2)10-14)11-5-4-6-12(16)9-11/h4-6,9,16H,3,7-8,10H2,1-2H3
InChIKey
VFDAPHCUXDZEHD-UHFFFAOYSA-N
Compound name
1-[3-(3-hydroxyphenyl)-1-methylpyrrolidin-3-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 153.9
[M+Na]+ 256.13081 160.8
[M-H]- 232.13431 158.0
[M+NH4]+ 251.17541 173.5
[M+K]+ 272.10475 157.7
[M+H-H2O]+ 216.13885 147.5
[M+HCOO]- 278.13979 173.1
[M+CH3COO]- 292.15544 188.5
[M+Na-2H]- 254.11626 155.7
[M]+ 233.14104 152.2
[M]- 233.14214 152.2
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.