CID 11299968

4-methoxy-alpha-pyrrolidinovalerophenone

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCCC(C(=O)C1=CC=C(C=C1)OC)N2CCCC2
InChI
InChI=1S/C16H23NO2/c1-3-6-15(17-11-4-5-12-17)16(18)13-7-9-14(19-2)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3
InChIKey
HWYVHRCKBXGZLV-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

261.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 164.2
[M+Na]+ 284.16210 168.3
[M-H]- 260.16560 168.5
[M+NH4]+ 279.20670 180.8
[M+K]+ 300.13604 165.9
[M+H-H2O]+ 244.17014 156.1
[M+HCOO]- 306.17108 183.1
[M+CH3COO]- 320.18673 197.2
[M+Na-2H]- 282.14755 163.5
[M]+ 261.17233 163.7
[M]- 261.17343 163.7
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