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]+ 222.14887 151.0
[M+Na]+ 244.13081 157.2
[M-H]- 220.13431 154.7
[M+NH4]+ 239.17541 169.2
[M+K]+ 260.10475 154.3
[M+H-H2O]+ 204.13885 143.8
[M+HCOO]- 266.13979 171.3
[M+CH3COO]- 280.15544 185.9
[M+Na-2H]- 242.11626 153.2
[M]+ 221.14104 149.9
[M]- 221.14214 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