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]+ 206.16518 147.8
[M+Na]+ 228.14712 154.2
[M-H]- 204.15062 151.5
[M+NH4]+ 223.19172 165.8
[M+K]+ 244.12106 151.1
[M+H-H2O]+ 188.15516 139.3
[M+HCOO]- 250.15610 169.2
[M+CH3COO]- 264.17175 189.0
[M+Na-2H]- 226.13257 151.4
[M]+ 205.15735 145.2
[M]- 205.15845 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.