CID 58749729

1824346-00-0

Structural Information

Molecular Formula
C13H20O
SMILES
CC(C)C(C1=CC=C(C=C1)O)C(C)C
InChI
InChI=1S/C13H20O/c1-9(2)13(10(3)4)11-5-7-12(14)8-6-11/h5-10,13-14H,1-4H3
InChIKey
OJSPJFXLZMMKFV-UHFFFAOYSA-N
Compound name
4-(2,4-dimethylpentan-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
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 145.9
[M+Na]+ 215.14063 151.4
[M-H]- 191.14413 148.0
[M+NH4]+ 210.18523 165.0
[M+K]+ 231.11457 149.7
[M+H-H2O]+ 175.14867 140.4
[M+HCOO]- 237.14961 164.9
[M+CH3COO]- 251.16526 186.6
[M+Na-2H]- 213.12608 147.1
[M]+ 192.15086 145.4
[M]- 192.15196 145.4
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