CID 62069321

1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-amine

Structural Information

Molecular Formula
C13H20N2O2
SMILES
COC1=CC(=CC(=C1)CN2CCC(C2)N)OC
InChI
InChI=1S/C13H20N2O2/c1-16-12-5-10(6-13(7-12)17-2)8-15-4-3-11(14)9-15/h5-7,11H,3-4,8-9,14H2,1-2H3
InChIKey
UHNGLBZXWIODDP-UHFFFAOYSA-N
Compound name
1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 155.1
[M+Na]+ 259.14170 165.7
[M+NH4]+ 254.18630 162.9
[M+K]+ 275.11564 161.5
[M-H]- 235.14520 158.3
[M+Na-2H]- 257.12715 160.5
[M]+ 236.15193 157.3
[M]- 236.15303 157.3
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.