CID 139596740

2-(2,3,4-trimethylhexyl)phenol

Structural Information

Molecular Formula
C15H24O
SMILES
CCC(C)C(C)C(C)CC1=CC=CC=C1O
InChI
InChI=1S/C15H24O/c1-5-11(2)13(4)12(3)10-14-8-6-7-9-15(14)16/h6-9,11-13,16H,5,10H2,1-4H3
InChIKey
QCULNWVQVASGOI-UHFFFAOYSA-N
Compound name
2-(2,3,4-trimethylhexyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 155.4
[M+Na]+ 243.171928 160.1
[M-H]- 219.175434 157.1
[M+NH4]+ 238.216533 173.3
[M+K]+ 259.145868 157.8
[M+H-H2O]+ 203.179970 149.5
[M+HCOO]- 265.180911 173.7
[M+CH3COO]- 279.196561 192.6
[M+Na-2H]- 241.157376 155.5
[M]+ 220.18216142 155.6
[M]- 220.18325858 155.6
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

No patent data available for this compound.