CID 225290

Nsc14495

Structural Information

Molecular Formula
C12H18O2
SMILES
CC(C)(C1=CC=CC=C1C(C)(C)O)O
InChI
InChI=1S/C12H18O2/c1-11(2,13)9-7-5-6-8-10(9)12(3,4)14/h5-8,13-14H,1-4H3
InChIKey
KSMBFKMHJGVFQO-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

194.13068 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 144.2
[M+Na]+ 217.119898 151.3
[M-H]- 193.123404 145.5
[M+NH4]+ 212.164503 162.8
[M+K]+ 233.093838 148.8
[M+H-H2O]+ 177.127940 139.9
[M+HCOO]- 239.128881 162.1
[M+CH3COO]- 253.144531 181.2
[M+Na-2H]- 215.105346 150.8
[M]+ 194.13013142 143.8
[M]- 194.13122858 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