CID 209566

19999-63-4

Structural Information

Molecular Formula
C8H18NO
SMILES
C[N+]1(CCCCC1)CCO
InChI
InChI=1S/C8H18NO/c1-9(7-8-10)5-3-2-4-6-9/h10H,2-8H2,1H3/q+1
InChIKey
OREKCTYCBSSFON-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-1-ium-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

144.13884 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.146116 131.6
[M+Na]+ 167.128058 136.7
[M-H]- 143.131564 132.0
[M+NH4]+ 162.172663 152.8
[M+K]+ 183.101998 130.0
[M+H-H2O]+ 127.136100 129.1
[M+HCOO]- 189.137041 149.2
[M+CH3COO]- 203.152691 164.4
[M+Na-2H]- 165.113506 140.2
[M]+ 144.13829142 125.5
[M]- 144.13938858 125.5
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

patents stripe