CID 6327435

45842-10-2

Structural Information

Molecular Formula
C9H18NO
SMILES
CC1(CCCC([N+]1=O)(C)C)C
InChI
InChI=1S/C9H18NO/c1-8(2)6-5-7-9(3,4)10(8)11/h5-7H2,1-4H3/q+1
InChIKey
QRDUGBLJDXDAAD-UHFFFAOYSA-N
Compound name
2,2,6,6-tetramethylpiperidin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

254
Patents

156.13884 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.146116 131.2
[M+Na]+ 179.128058 139.6
[M-H]- 155.131564 134.2
[M+NH4]+ 174.172663 155.1
[M+K]+ 195.101998 133.7
[M+H-H2O]+ 139.136100 129.9
[M+HCOO]- 201.137041 150.5
[M+CH3COO]- 215.152691 171.1
[M+Na-2H]- 177.113506 140.1
[M]+ 156.13829142 128.4
[M]- 156.13938858 128.4
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