CID 200301

1505-43-7

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCCC1(CCN(C1C)C)C2=CC(=CC=C2)OC(=O)C
InChI
InChI=1S/C17H25NO2/c1-5-9-17(10-11-18(4)13(17)2)15-7-6-8-16(12-15)20-14(3)19/h6-8,12-13H,5,9-11H2,1-4H3
InChIKey
ABBTXCYPVGWAPB-UHFFFAOYSA-N
Compound name
[3-(1,2-dimethyl-3-propylpyrrolidin-3-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.18854 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 166.0
[M+Na]+ 298.17776 172.9
[M-H]- 274.18126 171.3
[M+NH4]+ 293.22236 185.0
[M+K]+ 314.15170 170.1
[M+H-H2O]+ 258.18580 159.1
[M+HCOO]- 320.18674 185.7
[M+CH3COO]- 334.20239 200.6
[M+Na-2H]- 296.16321 166.0
[M]+ 275.18799 167.5
[M]- 275.18909 167.5
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.