CID 7577779

Methyl[(1r)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]amine

Structural Information

Molecular Formula
C13H20N2
SMILES
CN[C@@H](CN1CCCC1)C2=CC=CC=C2
InChI
InChI=1S/C13H20N2/c1-14-13(11-15-9-5-6-10-15)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3/t13-/m0/s1
InChIKey
ZINZYRWMDNKTBY-ZDUSSCGKSA-N
Compound name
(1R)-N-methyl-1-phenyl-2-pyrrolidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

204.16264 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 148.5
[M+Na]+ 227.15186 152.2
[M-H]- 203.15536 152.8
[M+NH4]+ 222.19646 167.1
[M+K]+ 243.12580 149.5
[M+H-H2O]+ 187.15990 140.4
[M+HCOO]- 249.16084 169.9
[M+CH3COO]- 263.17649 188.0
[M+Na-2H]- 225.13731 151.8
[M]+ 204.16209 144.3
[M]- 204.16319 144.3
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

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