CID 70383

955-03-3

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N=O
InChI
InChI=1S/C14H21NO2/c1-13(2,3)10-7-9(15-17)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
InChIKey
JLOKPJOOVQELMO-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-nitrosophenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

106
Patents

235.15723 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 154.0
[M+Na]+ 258.146448 162.5
[M-H]- 234.149954 158.6
[M+NH4]+ 253.191053 172.8
[M+K]+ 274.120388 161.0
[M+H-H2O]+ 218.154490 149.1
[M+HCOO]- 280.155431 175.5
[M+CH3COO]- 294.171081 197.5
[M+Na-2H]- 256.131896 159.6
[M]+ 235.15668142 157.3
[M]- 235.15777858 157.3
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