CID 98085

533-15-3

Structural Information

Molecular Formula
C8H17NO
SMILES
CN1CCCCC1CCO
InChI
InChI=1S/C8H17NO/c1-9-6-3-2-4-8(9)5-7-10/h8,10H,2-7H2,1H3
InChIKey
OVMRRCXDBKEQIU-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

312
Patents

143.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 133.3
[M+Na]+ 166.12023 138.5
[M-H]- 142.12373 133.4
[M+NH4]+ 161.16483 152.9
[M+K]+ 182.09417 137.2
[M+H-H2O]+ 126.12827 127.3
[M+HCOO]- 188.12921 151.2
[M+CH3COO]- 202.14486 172.5
[M+Na-2H]- 164.10568 137.8
[M]+ 143.13046 129.0
[M]- 143.13156 129.0
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