CID 92973650

Ns00117065

Structural Information

Molecular Formula
C14H19NO
SMILES
CC1=CC=C(C=C1)C(=O)[C@@H](C)N2CCCC2
InChI
InChI=1S/C14H19NO/c1-11-5-7-13(8-6-11)14(16)12(2)15-9-3-4-10-15/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m1/s1
InChIKey
APSJUNFBAXIXLK-GFCCVEGCSA-N
Compound name
(2R)-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

27
Patents

217.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 151.8
[M+Na]+ 240.13589 156.9
[M-H]- 216.13939 156.5
[M+NH4]+ 235.18049 170.3
[M+K]+ 256.10983 154.4
[M+H-H2O]+ 200.14393 144.3
[M+HCOO]- 262.14487 171.2
[M+CH3COO]- 276.16052 189.3
[M+Na-2H]- 238.12134 152.1
[M]+ 217.14612 149.1
[M]- 217.14722 149.1
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

No patent data available for this compound.