CID 21278329

(3r,5r)-5-methylpiperidin-3-ol

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1CC(CNC1)O
InChI
InChI=1S/C6H13NO/c1-5-2-6(8)4-7-3-5/h5-8H,2-4H2,1H3
InChIKey
QDPYHRSTDJTFRG-UHFFFAOYSA-N
Compound name
5-methylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

115.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 124.2
[M+Na]+ 138.08894 134.6
[M+NH4]+ 133.13354 132.7
[M+K]+ 154.06288 129.3
[M-H]- 114.09244 124.9
[M+Na-2H]- 136.07439 128.7
[M]+ 115.09917 125.6
[M]- 115.10027 125.6
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