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]+ 235.191726 161.3
[M+Na]+ 257.173668 169.3
[M-H]- 233.177174 166.7
[M+NH4]+ 252.218273 171.8
[M+K]+ 273.147608 163.8
[M+H-H2O]+ 217.181710 151.9
[M+HCOO]- 279.182651 179.5
[M+CH3COO]- 293.198301 171.4
[M+Na-2H]- 255.159116 161.4
[M]+ 234.18390142 158.7
[M]- 234.18499858 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.