CID 75058

3,5-diisopropylcatechol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

139
Patents

194.13068 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 144.4
[M+Na]+ 217.11990 156.2
[M+NH4]+ 212.16450 152.1
[M+K]+ 233.09384 151.3
[M-H]- 193.12340 145.4
[M+Na-2H]- 215.10535 148.9
[M]+ 194.13013 146.3
[M]- 194.13123 146.3
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