CID 98016

3-hydroxy-1-methylpiperidine

Structural Information

Molecular Formula
C6H13NO
SMILES
CN1CCCC(C1)O
InChI
InChI=1S/C6H13NO/c1-7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3
InChIKey
UKANCZCEGQDKGF-UHFFFAOYSA-N
Compound name
1-methylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

2143
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 130.3
[M-H]- 114.09244 124.6
[M+NH4]+ 133.13354 144.9
[M+K]+ 154.06288 129.4
[M+H-H2O]+ 98.096980 118.6
[M+HCOO]- 160.09792 142.8
[M+CH3COO]- 174.11357 166.4
[M+Na-2H]- 136.07439 129.8
[M]+ 115.09917 119.1
[M]- 115.10027 119.1
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.