CID 146239

Ad 2239

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC1=C(C=CC(=C1C)OC)C(=O)C(C)CN2CCCC2
InChI
InChI=1S/C17H25NO2/c1-12(11-18-9-5-6-10-18)17(19)15-7-8-16(20-4)14(3)13(15)2/h7-8,12H,5-6,9-11H2,1-4H3
InChIKey
FPQVKYMMPFDMBO-UHFFFAOYSA-N
Compound name
1-(4-methoxy-2,3-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

275.18854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 167.4
[M+Na]+ 298.17776 173.0
[M-H]- 274.18126 172.4
[M+NH4]+ 293.22236 184.2
[M+K]+ 314.15170 170.4
[M+H-H2O]+ 258.18580 159.9
[M+HCOO]- 320.18674 186.0
[M+CH3COO]- 334.20239 202.6
[M+Na-2H]- 296.16321 164.9
[M]+ 275.18799 168.1
[M]- 275.18909 168.1
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

patents stripe