CID 6430836

4'-methoxy-alpha-pyrrolidinopropiophenone

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC(C(=O)C1=CC=C(C=C1)OC)N2CCCC2
InChI
InChI=1S/C14H19NO2/c1-11(15-9-3-4-10-15)14(16)12-5-7-13(17-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3
InChIKey
QJWOQBGBEFNYKB-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

16
Patents

233.14159 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 154.9
[M+Na]+ 256.130808 159.9
[M-H]- 232.134314 159.6
[M+NH4]+ 251.175413 172.7
[M+K]+ 272.104748 158.0
[M+H-H2O]+ 216.138850 147.3
[M+HCOO]- 278.139791 174.5
[M+CH3COO]- 292.155441 191.3
[M+Na-2H]- 254.116256 155.3
[M]+ 233.14104142 153.7
[M]- 233.14213858 153.7
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