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]+ 221.18999 154.7
[M+Na]+ 243.17193 160.3
[M-H]- 219.17543 156.6
[M+NH4]+ 238.21653 172.9
[M+K]+ 259.14587 157.5
[M+H-H2O]+ 203.17997 149.2
[M+HCOO]- 265.18091 173.4
[M+CH3COO]- 279.19656 191.2
[M+Na-2H]- 241.15738 158.0
[M]+ 220.18216 155.7
[M]- 220.18326 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.