CID 6643

80-46-6

Structural Information

Molecular Formula
C11H16O
SMILES
CCC(C)(C)C1=CC=C(C=C1)O
InChI
InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3
InChIKey
NRZWYNLTFLDQQX-UHFFFAOYSA-N
Compound name
4-(2-methylbutan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

62
References

12970
Patents

164.12012 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 136.2
[M+Na]+ 187.109338 143.8
[M-H]- 163.112844 138.8
[M+NH4]+ 182.153943 156.7
[M+K]+ 203.083278 141.5
[M+H-H2O]+ 147.117380 131.5
[M+HCOO]- 209.118321 157.3
[M+CH3COO]- 223.133971 178.2
[M+Na-2H]- 185.094786 142.9
[M]+ 164.11957142 136.4
[M]- 164.12066858 136.4
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