CID 11831008

134454-21-0

Structural Information

Molecular Formula
C13H19NO2
SMILES
COC1=C(C=C(C=C1)C[C@H]2CCCN2)OC
InChI
InChI=1S/C13H19NO2/c1-15-12-6-5-10(9-13(12)16-2)8-11-4-3-7-14-11/h5-6,9,11,14H,3-4,7-8H2,1-2H3/t11-/m1/s1
InChIKey
PVZYPDMLAMMCDC-LLVKDONJSA-N
Compound name
(2R)-2-[(3,4-dimethoxyphenyl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

221.14159 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 151.0
[M+Na]+ 244.130808 157.2
[M-H]- 220.134314 154.7
[M+NH4]+ 239.175413 169.2
[M+K]+ 260.104748 154.3
[M+H-H2O]+ 204.138850 143.8
[M+HCOO]- 266.139791 171.3
[M+CH3COO]- 280.155441 185.9
[M+Na-2H]- 242.116256 153.2
[M]+ 221.14104142 149.9
[M]- 221.14213858 149.9
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