CID 69247748

Alpha-pyrrolidinononanophenone

Structural Information

Molecular Formula
C19H29NO
SMILES
CCCCCCCC(C(=O)C1=CC=CC=C1)N2CCCC2
InChI
InChI=1S/C19H29NO/c1-2-3-4-5-9-14-18(20-15-10-11-16-20)19(21)17-12-7-6-8-13-17/h6-8,12-13,18H,2-5,9-11,14-16H2,1H3
InChIKey
RYJXAZXFWIWTOJ-UHFFFAOYSA-N
Compound name
1-phenyl-2-pyrrolidin-1-ylnonan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

15
Patents

287.2249 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.23218 175.1
[M+Na]+ 310.21412 184.7
[M+NH4]+ 305.25872 182.5
[M+K]+ 326.18806 178.7
[M-H]- 286.21762 177.6
[M+Na-2H]- 308.19957 179.9
[M]+ 287.22435 176.9
[M]- 287.22545 176.9
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