CID 53412055

186825-36-5

Structural Information

Molecular Formula
C15H24O
SMILES
CCC(C)CC(C)(CC)C1=CC=C(C=C1)O
InChI
InChI=1S/C15H24O/c1-5-12(3)11-15(4,6-2)13-7-9-14(16)10-8-13/h7-10,12,16H,5-6,11H2,1-4H3
InChIKey
RYIHVIPUIXFRNI-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylheptan-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

0
Patents

220.18271 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 154.7
[M+Na]+ 243.171928 160.3
[M-H]- 219.175434 156.6
[M+NH4]+ 238.216533 172.9
[M+K]+ 259.145868 157.5
[M+H-H2O]+ 203.179970 149.2
[M+HCOO]- 265.180911 173.4
[M+CH3COO]- 279.196561 191.2
[M+Na-2H]- 241.157376 158.0
[M]+ 220.18216142 155.7
[M]- 220.18325858 155.7
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

No patent data available for this compound.