CID 86812170

1820575-74-3

Structural Information

Molecular Formula
C12H19N3
SMILES
CNC[C@@H]1CCN([C@H]1C2=CN=CC=C2)C
InChI
InChI=1S/C12H19N3/c1-13-8-11-5-7-15(2)12(11)10-4-3-6-14-9-10/h3-4,6,9,11-13H,5,7-8H2,1-2H3/t11-,12-/m0/s1
InChIKey
IHKBPCQCLHTOOZ-RYUDHWBXSA-N
Compound name
N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1579 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.165176 147.8
[M+Na]+ 228.147118 154.2
[M-H]- 204.150624 151.5
[M+NH4]+ 223.191723 165.8
[M+K]+ 244.121058 151.1
[M+H-H2O]+ 188.155160 139.3
[M+HCOO]- 250.156101 169.2
[M+CH3COO]- 264.171751 189.0
[M+Na-2H]- 226.132566 151.4
[M]+ 205.15735142 145.2
[M]- 205.15844858 145.2
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

No patent data available for this compound.