CID 16643617

1-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C13H20N2O
SMILES
COC1=CC=C(C=C1)C(CN2CCCC2)N
InChI
InChI=1S/C13H20N2O/c1-16-12-6-4-11(5-7-12)13(14)10-15-8-2-3-9-15/h4-7,13H,2-3,8-10,14H2,1H3
InChIKey
PCUWBOCJLTYKKA-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.15756 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 152.0
[M+Na]+ 243.14678 156.6
[M-H]- 219.15028 156.2
[M+NH4]+ 238.19138 169.9
[M+K]+ 259.12072 154.1
[M+H-H2O]+ 203.15482 144.0
[M+HCOO]- 265.15576 173.0
[M+CH3COO]- 279.17141 190.4
[M+Na-2H]- 241.13223 153.6
[M]+ 220.15701 148.6
[M]- 220.15811 148.6
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