CID 122155525

1969288-14-9

Structural Information

Molecular Formula
C13H21N3O
SMILES
CN1C=NC=C1[C@@H]2[C@H](CCCN2C3CC3)CO
InChI
InChI=1S/C13H21N3O/c1-15-9-14-7-12(15)13-10(8-17)3-2-6-16(13)11-4-5-11/h7,9-11,13,17H,2-6,8H2,1H3/t10-,13+/m1/s1
InChIKey
NEXMBLHCCYTXQB-MFKMUULPSA-N
Compound name
[(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.16846 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.17574 158.0
[M+Na]+ 258.15768 170.6
[M+NH4]+ 253.20228 166.0
[M+K]+ 274.13162 167.5
[M-H]- 234.16118 167.5
[M+Na-2H]- 256.14313 165.8
[M]+ 235.16791 163.4
[M]- 235.16901 163.4
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.