CID 20447657

3-methyl-2,5-bis(1-methylethyl)phenol

Structural Information

Molecular Formula
C13H20O
SMILES
CC1=CC(=CC(=C1C(C)C)O)C(C)C
InChI
InChI=1S/C13H20O/c1-8(2)11-6-10(5)13(9(3)4)12(14)7-11/h6-9,14H,1-5H3
InChIKey
LQCZIRGCOVVBOQ-UHFFFAOYSA-N
Compound name
3-methyl-2,5-di(propan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

192.15141 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 145.2
[M+Na]+ 215.14063 157.9
[M+NH4]+ 210.18523 153.7
[M+K]+ 231.11457 151.9
[M-H]- 191.14413 147.3
[M+Na-2H]- 213.12608 150.6
[M]+ 192.15086 147.6
[M]- 192.15196 147.6
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