CID 16744274

Rac-[(2r,3s)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methanamine

Structural Information

Molecular Formula
C11H17N3
SMILES
CN1CC[C@H]([C@@H]1C2=CN=CC=C2)CN
InChI
InChI=1S/C11H17N3/c1-14-6-4-9(7-12)11(14)10-3-2-5-13-8-10/h2-3,5,8-9,11H,4,6-7,12H2,1H3/t9-,11+/m0/s1
InChIKey
IUMCSWXAFXSTAI-GXSJLCMTSA-N
Compound name
[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

191.14224 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.14952 143.7
[M+Na]+ 214.13146 150.6
[M-H]- 190.13496 147.1
[M+NH4]+ 209.17606 162.0
[M+K]+ 230.10540 147.4
[M+H-H2O]+ 174.13950 135.5
[M+HCOO]- 236.14044 164.9
[M+CH3COO]- 250.15609 185.4
[M+Na-2H]- 212.11691 146.8
[M]+ 191.14169 139.8
[M]- 191.14279 139.8
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