CID 19000545

107259-16-5

Structural Information

Molecular Formula
C13H20N2
SMILES
CC(C1CCN(C1)CC2=CC=CC=C2)N
InChI
InChI=1S/C13H20N2/c1-11(14)13-7-8-15(10-13)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3
InChIKey
MVLOUNCMDFCYHO-UHFFFAOYSA-N
Compound name
1-(1-benzylpyrrolidin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

204.16264 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.169916 149.0
[M+Na]+ 227.151858 153.7
[M-H]- 203.155364 153.2
[M+NH4]+ 222.196463 167.6
[M+K]+ 243.125798 150.6
[M+H-H2O]+ 187.159900 141.2
[M+HCOO]- 249.160841 169.7
[M+CH3COO]- 263.176491 188.4
[M+Na-2H]- 225.137306 150.5
[M]+ 204.16209142 144.2
[M]- 204.16318858 144.2
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