CID 3510885

2-(3,4-dimethoxyphenyl)pyrrolidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

No literature data available for this compound.

Patent stripe

patents stripe