CID 107354

2-methyl-2-phenylheptan-4-ol

Structural Information

Molecular Formula
C14H22O
SMILES
CCCC(CC(C)(C)C1=CC=CC=C1)O
InChI
InChI=1S/C14H22O/c1-4-8-13(15)11-14(2,3)12-9-6-5-7-10-12/h5-7,9-10,13,15H,4,8,11H2,1-3H3
InChIKey
ARNFSIFLXMFHBV-UHFFFAOYSA-N
Compound name
2-methyl-2-phenylheptan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 150.9
[M+Na]+ 229.15629 156.0
[M-H]- 205.15979 152.6
[M+NH4]+ 224.20089 169.3
[M+K]+ 245.13023 153.4
[M+H-H2O]+ 189.16433 145.4
[M+HCOO]- 251.16527 170.0
[M+CH3COO]- 265.18092 187.0
[M+Na-2H]- 227.14174 155.4
[M]+ 206.16652 151.1
[M]- 206.16762 151.1
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.