CID 876396

Pyrrolidine, 1-((2,4-dimethylphenoxy)acetyl)-

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC1=CC(=C(C=C1)OCC(=O)N2CCCC2)C
InChI
InChI=1S/C14H19NO2/c1-11-5-6-13(12(2)9-11)17-10-14(16)15-7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKey
VFWYBKQWRGJFMB-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylphenoxy)-1-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

233.14159 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 154.5
[M+Na]+ 256.130808 160.8
[M-H]- 232.134314 159.6
[M+NH4]+ 251.175413 172.8
[M+K]+ 272.104748 158.4
[M+H-H2O]+ 216.138850 147.1
[M+HCOO]- 278.139791 175.2
[M+CH3COO]- 292.155441 190.9
[M+Na-2H]- 254.116256 155.4
[M]+ 233.14104142 154.3
[M]- 233.14213858 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

No patent data available for this compound.