CID 520092

Di-tert-butyl nitroxide

Structural Information

Molecular Formula
C8H18NO
SMILES
CC(C)(C)N(C(C)(C)C)[O]
InChI
InChI=1S/C8H18NO/c1-7(2,3)9(10)8(4,5)6/h1-6H3
InChIKey
CKJMHSMEPSUICM-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

63
Patents

144.13884 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.14612 133.1
[M+Na]+ 167.12806 140.0
[M-H]- 143.13156 135.3
[M+NH4]+ 162.17266 155.7
[M+K]+ 183.10200 142.0
[M+H-H2O]+ 127.13610 129.3
[M+HCOO]- 189.13704 155.0
[M+CH3COO]- 203.15269 183.0
[M+Na-2H]- 165.11351 140.2
[M]+ 144.13829 136.0
[M]- 144.13939 136.0
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