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

1
Patents

220.15756 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.164836 152.0
[M+Na]+ 243.146778 156.6
[M-H]- 219.150284 156.2
[M+NH4]+ 238.191383 169.9
[M+K]+ 259.120718 154.1
[M+H-H2O]+ 203.154820 144.0
[M+HCOO]- 265.155761 173.0
[M+CH3COO]- 279.171411 190.4
[M+Na-2H]- 241.132226 153.6
[M]+ 220.15701142 148.6
[M]- 220.15810858 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