CID 3158581

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

Structural Information

Molecular Formula
C13H20N2O
SMILES
COC1=CC=C(C=C1)C(CN)N2CCCC2
InChI
InChI=1S/C13H20N2O/c1-16-12-6-4-11(5-7-12)13(10-14)15-8-2-3-9-15/h4-7,13H,2-3,8-10,14H2,1H3
InChIKey
MQRPNOSBMHBKSJ-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

56
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

literature stripe

Patent stripe

patents stripe