CID 3015513

P-(1,1-dimethylheptyl)phenol

Structural Information

Molecular Formula
C15H24O
SMILES
CCCCCCC(C)(C)C1=CC=C(C=C1)O
InChI
InChI=1S/C15H24O/c1-4-5-6-7-12-15(2,3)13-8-10-14(16)11-9-13/h8-11,16H,4-7,12H2,1-3H3
InChIKey
IJWXCYSPVNCDMA-UHFFFAOYSA-N
Compound name
4-(2-methyloctan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

188
Patents

220.18271 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 154.9
[M+Na]+ 243.17193 160.8
[M-H]- 219.17543 156.7
[M+NH4]+ 238.21653 173.2
[M+K]+ 259.14587 157.5
[M+H-H2O]+ 203.17997 149.3
[M+HCOO]- 265.18091 174.7
[M+CH3COO]- 279.19656 190.4
[M+Na-2H]- 241.15738 159.4
[M]+ 220.18216 156.5
[M]- 220.18326 156.5
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