CID 122152459

1969288-75-2

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 156.5
[M+Na]+ 257.17367 168.6
[M+NH4]+ 252.21827 164.8
[M+K]+ 273.14761 165.4
[M-H]- 233.17717 167.0
[M+Na-2H]- 255.15912 164.8
[M]+ 234.18390 162.1
[M]- 234.18500 162.1
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.