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

171
Patents

206.13068 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 146.5
[M+Na]+ 229.11990 152.4
[M-H]- 205.12340 150.4
[M+NH4]+ 224.16450 164.3
[M+K]+ 245.09384 148.8
[M+H-H2O]+ 189.12794 140.5
[M+HCOO]- 251.12888 164.4
[M+CH3COO]- 265.14453 182.4
[M+Na-2H]- 227.10535 149.1
[M]+ 206.13013 141.3
[M]- 206.13123 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