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
3
Annotation Hits

9
References

1385
Patents

217.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 151.8
[M+Na]+ 240.135888 156.9
[M-H]- 216.139394 156.5
[M+NH4]+ 235.180493 170.3
[M+K]+ 256.109828 154.4
[M+H-H2O]+ 200.143930 144.3
[M+HCOO]- 262.144871 171.2
[M+CH3COO]- 276.160521 189.3
[M+Na-2H]- 238.121336 152.1
[M]+ 217.14612142 149.1
[M]- 217.14721858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.