CID 3053119

69552-05-2

Structural Information

Molecular Formula
C16H23NO3
SMILES
CCC(=O)OC1(CCN(C1C)C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C16H23NO3/c1-5-15(18)20-16(9-10-17(3)12(16)2)13-7-6-8-14(11-13)19-4/h6-8,11-12H,5,9-10H2,1-4H3
InChIKey
MSOHVPSPIRBWAL-UHFFFAOYSA-N
Compound name
[3-(3-methoxyphenyl)-1,2-dimethylpyrrolidin-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 164.5
[M+Na]+ 300.15702 171.7
[M-H]- 276.16052 169.9
[M+NH4]+ 295.20162 183.3
[M+K]+ 316.13096 169.7
[M+H-H2O]+ 260.16506 157.7
[M+HCOO]- 322.16600 184.7
[M+CH3COO]- 336.18165 199.6
[M+Na-2H]- 298.14247 165.2
[M]+ 277.16725 167.2
[M]- 277.16835 167.2
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.