CID 122152459

Rac-[(2r,3s)-1-cyclopropyl-2-(1-methyl-1h-imidazol-5-yl)piperidin-3-yl]methanamine

Structural Information

Molecular Formula
C13H22N4
SMILES
CN1C=NC=C1[C@@H]2[C@H](CCCN2C3CC3)CN
InChI
InChI=1S/C13H22N4/c1-16-9-15-8-12(16)13-10(7-14)3-2-6-17(13)11-4-5-11/h8-11,13H,2-7,14H2,1H3/t10-,13+/m1/s1
InChIKey
ZOZIDWDWOURKED-MFKMUULPSA-N
Compound name
[(2S,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.18445 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.19173 161.3
[M+Na]+ 257.17367 169.3
[M-H]- 233.17717 166.7
[M+NH4]+ 252.21827 171.8
[M+K]+ 273.14761 163.8
[M+H-H2O]+ 217.18171 151.9
[M+HCOO]- 279.18265 179.5
[M+CH3COO]- 293.19830 171.4
[M+Na-2H]- 255.15912 161.4
[M]+ 234.18390 158.7
[M]- 234.18500 158.7
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.