CID 167719308

4-{2-[tert-butyl(nitroso)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol

Structural Information

Molecular Formula
C13H20N2O4
SMILES
CC(C)(C)N(CC(C1=CC(=C(C=C1)O)CO)O)N=O
InChI
InChI=1S/C13H20N2O4/c1-13(2,3)15(14-19)7-12(18)9-4-5-11(17)10(6-9)8-16/h4-6,12,16-18H,7-8H2,1-3H3
InChIKey
ZMJPUQNSCRRRCS-UHFFFAOYSA-N
Compound name
N-tert-butyl-N-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14958 161.7
[M+Na]+ 291.13152 169.5
[M+NH4]+ 286.17612 166.7
[M+K]+ 307.10546 167.0
[M-H]- 267.13502 161.6
[M+Na-2H]- 289.11697 164.9
[M]+ 268.14175 162.3
[M]- 268.14285 162.3
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.