CID 74816

1999-85-5

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1098
Patents

194.13068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 144.2
[M+Na]+ 217.11990 151.3
[M-H]- 193.12340 145.5
[M+NH4]+ 212.16450 162.8
[M+K]+ 233.09384 148.8
[M+H-H2O]+ 177.12794 139.9
[M+HCOO]- 239.12888 162.1
[M+CH3COO]- 253.14453 181.2
[M+Na-2H]- 215.10535 150.8
[M]+ 194.13013 143.8
[M]- 194.13123 143.8
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