CID 11148955

Alpha-pyrrolidinovalerophenone

Structural Information

Molecular Formula
C15H21NO
SMILES
CCCC(C(=O)C1=CC=CC=C1)N2CCCC2
InChI
InChI=1S/C15H21NO/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13/h3-5,9-10,14H,2,6-8,11-12H2,1H3
InChIKey
YDIIDRWHPFMLGR-UHFFFAOYSA-N
Compound name
1-phenyl-2-pyrrolidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

99
References

94
Patents

231.16231 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 157.1
[M+Na]+ 254.15153 160.7
[M-H]- 230.15503 161.2
[M+NH4]+ 249.19613 174.7
[M+K]+ 270.12547 158.0
[M+H-H2O]+ 214.15957 149.0
[M+HCOO]- 276.16051 176.1
[M+CH3COO]- 290.17616 191.1
[M+Na-2H]- 252.13698 157.5
[M]+ 231.16176 154.3
[M]- 231.16286 154.3
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