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]+ 237.15976 154.3
[M+Na]+ 259.14170 161.0
[M-H]- 235.14520 159.2
[M+NH4]+ 254.18630 172.3
[M+K]+ 275.11564 158.5
[M+H-H2O]+ 219.14974 146.7
[M+HCOO]- 281.15068 176.5
[M+CH3COO]- 295.16633 194.0
[M+Na-2H]- 257.12715 155.8
[M]+ 236.15193 153.8
[M]- 236.15303 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.