CID 21962

M-cresol, 6-butyl-

Structural Information

Molecular Formula
C11H16O
SMILES
CCCCC1=C(C=C(C=C1)C)O
InChI
InChI=1S/C11H16O/c1-3-4-5-10-7-6-9(2)8-11(10)12/h6-8,12H,3-5H2,1-2H3
InChIKey
BHIIOLWIZLICII-UHFFFAOYSA-N
Compound name
2-butyl-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

782
Patents

164.12012 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 135.6
[M+Na]+ 187.10934 143.7
[M-H]- 163.11284 138.3
[M+NH4]+ 182.15394 156.4
[M+K]+ 203.08328 141.0
[M+H-H2O]+ 147.11738 130.5
[M+HCOO]- 209.11832 158.3
[M+CH3COO]- 223.13397 179.0
[M+Na-2H]- 185.09479 141.0
[M]+ 164.11957 136.7
[M]- 164.12067 136.7
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