CID 24705133

[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methanamine

Structural Information

Molecular Formula
C13H20N2O2
SMILES
COC1=CC(=CC(=C1)N2CCC(C2)CN)OC
InChI
InChI=1S/C13H20N2O2/c1-16-12-5-11(6-13(7-12)17-2)15-4-3-10(8-14)9-15/h5-7,10H,3-4,8-9,14H2,1-2H3
InChIKey
VXTXMVRVBLMJBR-UHFFFAOYSA-N
Compound name
[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.159756 154.3
[M+Na]+ 259.141698 161.0
[M-H]- 235.145204 159.2
[M+NH4]+ 254.186303 172.3
[M+K]+ 275.115638 158.5
[M+H-H2O]+ 219.149740 146.7
[M+HCOO]- 281.150681 176.5
[M+CH3COO]- 295.166331 194.0
[M+Na-2H]- 257.127146 155.8
[M]+ 236.15193142 153.8
[M]- 236.15302858 153.8
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.