CID 211262

22792-42-3

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

COC1=C(C=C(C=C1)CN2CCCC2)OC

InChI

InChI=1S/C13H19NO2/c1-15-12-6-5-11(9-13(12)16-2)10-14-7-3-4-8-14/h5-6,9H,3-4,7-8,10H2,1-2H3

InChIKey

MIZXZRHARATZMK-UHFFFAOYSA-N

Compound name

1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5
Patents: 221.14159 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	222.14887	150.5
[M+Na]+	244.13081	157.2
[M-H]-	220.13431	155.5
[M+NH4]+	239.17541	169.4
[M+K]+	260.10475	155.1
[M+H-H2O]+	204.13885	143.0
[M+HCOO]-	266.13979	172.3
[M+CH3COO]-	280.15544	188.5
[M+Na-2H]-	242.11626	153.1
[M]+	221.14104	151.3
[M]-	221.14214	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe