CID 19911080

4-(5-methylhexyl)phenol

Structural Information

Molecular Formula
C13H20O
SMILES
CC(C)CCCCC1=CC=C(C=C1)O
InChI
InChI=1S/C13H20O/c1-11(2)5-3-4-6-12-7-9-13(14)10-8-12/h7-11,14H,3-6H2,1-2H3
InChIKey
DZIFYSBFHMEXBI-UHFFFAOYSA-N
Compound name
4-(5-methylhexyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

80
Patents

192.15141 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 146.1
[M+Na]+ 215.14063 152.0
[M-H]- 191.14413 148.0
[M+NH4]+ 210.18523 165.2
[M+K]+ 231.11457 149.3
[M+H-H2O]+ 175.14867 140.3
[M+HCOO]- 237.14961 167.1
[M+CH3COO]- 251.16526 184.8
[M+Na-2H]- 213.12608 149.7
[M]+ 192.15086 146.7
[M]- 192.15196 146.7
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