CID 3053120

69552-06-3

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CCC(=O)OC1(CCN(C1C)C)C2=CC=CC=N2
InChI
InChI=1S/C14H20N2O2/c1-4-13(17)18-14(8-10-16(3)11(14)2)12-7-5-6-9-15-12/h5-7,9,11H,4,8,10H2,1-3H3
InChIKey
XMFMREKYEZOJNK-UHFFFAOYSA-N
Compound name
(1,2-dimethyl-3-pyridin-2-ylpyrrolidin-3-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 157.4
[M+Na]+ 271.141698 164.7
[M-H]- 247.145204 161.4
[M+NH4]+ 266.186303 175.8
[M+K]+ 287.115638 162.5
[M+H-H2O]+ 231.149740 149.7
[M+HCOO]- 293.150681 176.8
[M+CH3COO]- 307.166331 193.1
[M+Na-2H]- 269.127146 159.6
[M]+ 248.15193142 158.0
[M]- 248.15302858 158.0
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.