CID 4080250

Tert-amyl-tert-butyl nitroxide

Structural Information

Molecular Formula
C9H21NO
SMILES
CCC(C)(C)N(C(C)(C)C)O
InChI
InChI=1S/C9H21NO/c1-7-9(5,6)10(11)8(2,3)4/h11H,7H2,1-6H3
InChIKey
RLHHZKAPOROZIF-UHFFFAOYSA-N
Compound name
N-tert-butyl-N-(2-methylbutan-2-yl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

159.16231 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.169586 138.7
[M+Na]+ 182.151528 144.7
[M-H]- 158.155034 139.3
[M+NH4]+ 177.196133 159.9
[M+K]+ 198.125468 145.5
[M+H-H2O]+ 142.159570 134.9
[M+HCOO]- 204.160511 158.8
[M+CH3COO]- 218.176161 184.0
[M+Na-2H]- 180.136976 144.7
[M]+ 159.16176142 140.1
[M]- 159.16285858 140.1
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