CID 64884

51290-65-4

Structural Information

Molecular Formula
C14H22O
SMILES
CC(CCC1=CC=C(C=C1)C(C)(C)C)O
InChI
InChI=1S/C14H22O/c1-11(15)5-6-12-7-9-13(10-8-12)14(2,3)4/h7-11,15H,5-6H2,1-4H3
InChIKey
OATMQLUGSMOYRV-UHFFFAOYSA-N
Compound name
4-(4-tert-butylphenyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
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 150.2
[M+Na]+ 229.15629 156.3
[M-H]- 205.15979 152.3
[M+NH4]+ 224.20089 169.0
[M+K]+ 245.13023 153.8
[M+H-H2O]+ 189.16433 145.0
[M+HCOO]- 251.16527 169.3
[M+CH3COO]- 265.18092 187.5
[M+Na-2H]- 227.14174 154.0
[M]+ 206.16652 150.7
[M]- 206.16762 150.7
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

patents stripe