CID 54064788

2230789-51-0

Structural Information

Molecular Formula
C7H15NO2
SMILES
C1C[C@@H](N[C@@H](C1)CO)CO
InChI
InChI=1S/C7H15NO2/c9-4-6-2-1-3-7(5-10)8-6/h6-10H,1-5H2/t6-,7+
InChIKey
MCEPYPBCTYUNDH-KNVOCYPGSA-N
Compound name
[(2R,6S)-6-(hydroxymethyl)piperidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

145.11028 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 133.3
[M+Na]+ 168.09950 138.1
[M-H]- 144.10300 130.7
[M+NH4]+ 163.14410 151.2
[M+K]+ 184.07344 135.5
[M+H-H2O]+ 128.10754 127.8
[M+HCOO]- 190.10848 148.7
[M+CH3COO]- 204.12413 166.4
[M+Na-2H]- 166.08495 137.3
[M]+ 145.10973 126.3
[M]- 145.11083 126.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe