CID 211162

Phenol, 2-butyl-6-isopropyl-

Structural Information

Molecular Formula
C13H20O
SMILES
CCCCC1=C(C(=CC=C1)C(C)C)O
InChI
InChI=1S/C13H20O/c1-4-5-7-11-8-6-9-12(10(2)3)13(11)14/h6,8-10,14H,4-5,7H2,1-3H3
InChIKey
QXVWWADASQRJAU-UHFFFAOYSA-N
Compound name
2-butyl-6-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

192.15141 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 145.2
[M+Na]+ 215.14063 152.2
[M-H]- 191.14413 147.5
[M+NH4]+ 210.18523 164.7
[M+K]+ 231.11457 149.4
[M+H-H2O]+ 175.14867 139.8
[M+HCOO]- 237.14961 166.2
[M+CH3COO]- 251.16526 185.9
[M+Na-2H]- 213.12608 148.2
[M]+ 192.15086 146.3
[M]- 192.15196 146.3
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