CID 8456

25013-16-5

Structural Information

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

2D Structure

compound 2d structure
9
Annotation Hits

1311
References

15708
Patents

180.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.122316 139.0
[M+Na]+ 203.104258 147.6
[M-H]- 179.107764 142.0
[M+NH4]+ 198.148863 159.3
[M+K]+ 219.078198 145.9
[M+H-H2O]+ 163.112300 134.3
[M+HCOO]- 225.113241 160.4
[M+CH3COO]- 239.128891 180.7
[M+Na-2H]- 201.089706 145.1
[M]+ 180.11449142 140.9
[M]- 180.11558858 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