CID 64688713

2-(2,4,6-trimethoxyphenyl)pyrrolidine

Structural Information

Molecular Formula
C13H19NO3
SMILES
COC1=CC(=C(C(=C1)OC)C2CCCN2)OC
InChI
InChI=1S/C13H19NO3/c1-15-9-7-11(16-2)13(12(8-9)17-3)10-5-4-6-14-10/h7-8,10,14H,4-6H2,1-3H3
InChIKey
FCHYQFHCBWCEPO-UHFFFAOYSA-N
Compound name
2-(2,4,6-trimethoxyphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 153.6
[M+Na]+ 260.12571 160.6
[M-H]- 236.12921 157.7
[M+NH4]+ 255.17031 171.4
[M+K]+ 276.09965 158.3
[M+H-H2O]+ 220.13375 146.5
[M+HCOO]- 282.13469 174.1
[M+CH3COO]- 296.15034 189.2
[M+Na-2H]- 258.11116 155.2
[M]+ 237.13594 154.4
[M]- 237.13704 154.4
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.