CID 71379228

646521-18-8

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC(C(=O)C1=CC=C(C=C1)CO)N2CCCC2
InChI
InChI=1S/C14H19NO2/c1-11(15-8-2-3-9-15)14(17)13-6-4-12(10-16)5-7-13/h4-7,11,16H,2-3,8-10H2,1H3
InChIKey
MOCYRRGUYQCODZ-UHFFFAOYSA-N
Compound name
1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

233.14159 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 155.4
[M+Na]+ 256.13081 160.0
[M-H]- 232.13431 158.8
[M+NH4]+ 251.17541 172.5
[M+K]+ 272.10475 157.2
[M+H-H2O]+ 216.13885 148.1
[M+HCOO]- 278.13979 173.5
[M+CH3COO]- 292.15544 188.7
[M+Na-2H]- 254.11626 155.4
[M]+ 233.14104 152.3
[M]- 233.14214 152.3
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