CID 40919

4-tert-butyl-2-methoxyphenol

Structural Information

Molecular Formula
C11H16O2
SMILES
CC(C)(C)C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C11H16O2/c1-11(2,3)8-5-6-9(12)10(7-8)13-4/h5-7,12H,1-4H3
InChIKey
SERZNTMEVJWJSA-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

180.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 139.0
[M+Na]+ 203.10426 147.6
[M-H]- 179.10776 142.0
[M+NH4]+ 198.14886 159.3
[M+K]+ 219.07820 145.9
[M+H-H2O]+ 163.11230 134.3
[M+HCOO]- 225.11324 160.4
[M+CH3COO]- 239.12889 180.7
[M+Na-2H]- 201.08971 145.1
[M]+ 180.11449 140.9
[M]- 180.11559 140.9
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