CID 5236071

2-(2,4-dimethoxyphenyl)pyrrolidine

Structural Information

Molecular Formula
C12H17NO2
SMILES
COC1=CC(=C(C=C1)C2CCCN2)OC
InChI
InChI=1S/C12H17NO2/c1-14-9-5-6-10(12(8-9)15-2)11-4-3-7-13-11/h5-6,8,11,13H,3-4,7H2,1-2H3
InChIKey
RMQJFYAFGGOKQJ-UHFFFAOYSA-N
Compound name
2-(2,4-dimethoxyphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

12
Patents

207.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 146.4
[M+Na]+ 230.11515 153.1
[M-H]- 206.11865 150.3
[M+NH4]+ 225.15975 165.2
[M+K]+ 246.08909 150.4
[M+H-H2O]+ 190.12319 139.4
[M+HCOO]- 252.12413 167.0
[M+CH3COO]- 266.13978 182.9
[M+Na-2H]- 228.10060 149.2
[M]+ 207.12538 145.0
[M]- 207.12648 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe