CID 21723655

521947-27-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
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

patents stripe