CID 69765

2,6-di-tert-butyl-4-nitrophenol

Structural Information

Molecular Formula
C14H21NO3
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[N+](=O)[O-]
InChI
InChI=1S/C14H21NO3/c1-13(2,3)10-7-9(15(17)18)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
InChIKey
FCGKUUOTWLWJHE-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

208
Patents

251.15215 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 156.5
[M+Na]+ 274.14137 164.0
[M-H]- 250.14487 159.7
[M+NH4]+ 269.18597 173.4
[M+K]+ 290.11531 158.0
[M+H-H2O]+ 234.14941 156.6
[M+HCOO]- 296.15035 176.3
[M+CH3COO]- 310.16600 189.7
[M+Na-2H]- 272.12682 163.3
[M]+ 251.15160 156.8
[M]- 251.15270 156.8
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