CID 85471349

Resorcinol compound 25

Structural Information

Molecular Formula
C13H18O2
SMILES
CC1=CC(=CC(=C1C2CCCCC2)O)O
InChI
InChI=1S/C13H18O2/c1-9-7-11(14)8-12(15)13(9)10-5-3-2-4-6-10/h7-8,10,14-15H,2-6H2,1H3
InChIKey
NZLWYNBRWDATJO-UHFFFAOYSA-N
Compound name
4-cyclohexyl-5-methylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

206.13068 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 146.5
[M+Na]+ 229.119898 152.4
[M-H]- 205.123404 150.4
[M+NH4]+ 224.164503 164.3
[M+K]+ 245.093838 148.8
[M+H-H2O]+ 189.127940 140.5
[M+HCOO]- 251.128881 164.4
[M+CH3COO]- 265.144531 182.4
[M+Na-2H]- 227.105346 149.1
[M]+ 206.13013142 141.3
[M]- 206.13122858 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe