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]+ 249.15976 157.4
[M+Na]+ 271.14170 164.7
[M-H]- 247.14520 161.4
[M+NH4]+ 266.18630 175.8
[M+K]+ 287.11564 162.5
[M+H-H2O]+ 231.14974 149.7
[M+HCOO]- 293.15068 176.8
[M+CH3COO]- 307.16633 193.1
[M+Na-2H]- 269.12715 159.6
[M]+ 248.15193 158.0
[M]- 248.15303 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.