CID 59809191

Alpha-pihp

Structural Information

Molecular Formula
C16H23NO
SMILES
CC(C)CC(C(=O)C1=CC=CC=C1)N2CCCC2
InChI
InChI=1S/C16H23NO/c1-13(2)12-15(17-10-6-7-11-17)16(18)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3
InChIKey
UOZWZANRCOALQL-UHFFFAOYSA-N
Compound name
4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

245.17796 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 161.7
[M+Na]+ 268.16718 164.7
[M-H]- 244.17068 165.8
[M+NH4]+ 263.21178 178.7
[M+K]+ 284.14112 162.2
[M+H-H2O]+ 228.17522 153.7
[M+HCOO]- 290.17616 179.4
[M+CH3COO]- 304.19181 195.0
[M+Na-2H]- 266.15263 160.4
[M]+ 245.17741 158.8
[M]- 245.17851 158.8
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