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 162.0
[M+Na]+ 258.15768 170.2
[M-H]- 234.16118 166.5
[M+NH4]+ 253.20228 172.2
[M+K]+ 274.13162 165.0
[M+H-H2O]+ 218.16572 152.9
[M+HCOO]- 280.16666 178.4
[M+CH3COO]- 294.18231 172.0
[M+Na-2H]- 256.14313 162.0
[M]+ 235.16791 160.5
[M]- 235.16901 160.5
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.