CID 2778953

2-(3-hydroxy-3-methylbutyl)phenol

Structural Information

Molecular Formula
C11H16O2
SMILES
CC(C)(CCC1=CC=CC=C1O)O
InChI
InChI=1S/C11H16O2/c1-11(2,13)8-7-9-5-3-4-6-10(9)12/h3-6,12-13H,7-8H2,1-2H3
InChIKey
HULLBXYBMZDZKL-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-3-methylbutyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

180.11504 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe