CID 85948839

Dtxsid801335882

Structural Information

Molecular Formula
C12H26ClN2O
SMILES
CC1(CC(CC(N1OCl)(C)C)[N+](C)(C)C)C
InChI
InChI=1S/C12H26ClN2O/c1-11(2)8-10(15(5,6)7)9-12(3,4)14(11)16-13/h10H,8-9H2,1-7H3/q+1
InChIKey
JPVVHLQLUSCRJD-UHFFFAOYSA-N
Compound name
(1-chlorooxy-2,2,6,6-tetramethylpiperidin-4-yl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17337 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18065 149.6
[M+Na]+ 272.16259 157.7
[M-H]- 248.16609 153.5
[M+NH4]+ 267.20719 171.6
[M+K]+ 288.13653 150.8
[M+H-H2O]+ 232.17063 149.0
[M+HCOO]- 294.17157 163.9
[M+CH3COO]- 308.18722 193.8
[M+Na-2H]- 270.14804 158.0
[M]+ 249.17282 150.9
[M]- 249.17392 150.9
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.