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]+ 236.175736 162.0
[M+Na]+ 258.157678 170.2
[M-H]- 234.161184 166.5
[M+NH4]+ 253.202283 172.2
[M+K]+ 274.131618 165.0
[M+H-H2O]+ 218.165720 152.9
[M+HCOO]- 280.166661 178.4
[M+CH3COO]- 294.182311 172.0
[M+Na-2H]- 256.143126 162.0
[M]+ 235.16791142 160.5
[M]- 235.16900858 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.