CID 138161

4-(3-hydroxy-3-methylbutyl)phenol

Structural Information

Molecular Formula
C11H16O2
SMILES
CC(C)(CCC1=CC=C(C=C1)O)O
InChI
InChI=1S/C11H16O2/c1-11(2,13)8-7-9-3-5-10(12)6-4-9/h3-6,12-13H,7-8H2,1-2H3
InChIKey
BGHHDJUQYBAXSB-UHFFFAOYSA-N
Compound name
4-(3-hydroxy-3-methylbutyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

180.11504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 140.4
[M+Na]+ 203.10426 147.5
[M-H]- 179.10776 141.5
[M+NH4]+ 198.14886 159.5
[M+K]+ 219.07820 144.8
[M+H-H2O]+ 163.11230 135.6
[M+HCOO]- 225.11324 160.2
[M+CH3COO]- 239.12889 177.6
[M+Na-2H]- 201.08971 146.6
[M]+ 180.11449 140.1
[M]- 180.11559 140.1
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