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

141
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 175.4
[M+Na]+ 310.21412 177.3
[M-H]- 286.21762 178.7
[M+NH4]+ 305.25872 190.7
[M+K]+ 326.18806 173.6
[M+H-H2O]+ 270.22216 166.5
[M+HCOO]- 332.22310 193.0
[M+CH3COO]- 346.23875 203.1
[M+Na-2H]- 308.19957 173.6
[M]+ 287.22435 174.1
[M]- 287.22545 174.1
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.