CID 18935

3445-42-9

Structural Information

Molecular Formula
C12H18O
SMILES
CC(C)C1=CC=C(C=C1)C(C)(C)O
InChI
InChI=1S/C12H18O/c1-9(2)10-5-7-11(8-6-10)12(3,4)13/h5-9,13H,1-4H3
InChIKey
VBSMBCNJCBKQFP-UHFFFAOYSA-N
Compound name
2-(4-propan-2-ylphenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

186
Patents

178.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 141.4
[M+Na]+ 201.12499 153.5
[M+NH4]+ 196.16959 150.0
[M+K]+ 217.09893 147.8
[M-H]- 177.12849 143.0
[M+Na-2H]- 199.11044 147.8
[M]+ 178.13522 143.7
[M]- 178.13632 143.7
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