CID 18062

2948-46-1

Structural Information

Molecular Formula
C12H18O2
SMILES
CC(C)(C1=CC=C(C=C1)C(C)(C)O)O
InChI
InChI=1S/C12H18O2/c1-11(2,13)9-5-7-10(8-6-9)12(3,4)14/h5-8,13-14H,1-4H3
InChIKey
LEARFTRDZQQTDN-UHFFFAOYSA-N
Compound name
2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1568
Patents

194.13068 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 144.9
[M+Na]+ 217.11990 156.0
[M+NH4]+ 212.16450 152.4
[M+K]+ 233.09384 151.6
[M-H]- 193.12340 145.0
[M+Na-2H]- 215.10535 150.5
[M]+ 194.13013 146.6
[M]- 194.13123 146.6
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