CID 103488

2-sec-butyl-p-cresol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

164.12012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 135.8
[M+Na]+ 187.109338 143.6
[M-H]- 163.112844 138.5
[M+NH4]+ 182.153943 156.4
[M+K]+ 203.083278 141.4
[M+H-H2O]+ 147.117380 130.7
[M+HCOO]- 209.118321 157.5
[M+CH3COO]- 223.133971 179.9
[M+Na-2H]- 185.094786 139.9
[M]+ 164.11957142 136.1
[M]- 164.12066858 136.1
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