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
3
Annotation Hits

2
References

2099
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

literature stripe

Patent stripe

patents stripe