CID 6911

2,6-di-tert-butyl-4-(methoxymethyl)phenol

Structural Information

Molecular Formula
C16H26O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)COC
InChI
InChI=1S/C16H26O2/c1-15(2,3)12-8-11(10-18-7)9-13(14(12)17)16(4,5)6/h8-9,17H,10H2,1-7H3
InChIKey
SCXYLTWTWUGEAA-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(methoxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

10507
Patents

250.19328 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 160.5
[M+Na]+ 273.18250 168.3
[M-H]- 249.18600 163.3
[M+NH4]+ 268.22710 178.4
[M+K]+ 289.15644 166.0
[M+H-H2O]+ 233.19054 155.8
[M+HCOO]- 295.19148 178.6
[M+CH3COO]- 309.20713 197.0
[M+Na-2H]- 271.16795 164.3
[M]+ 250.19273 164.1
[M]- 250.19383 164.1
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