CID 45097120

Resorcinol compound 24

Structural Information

Molecular Formula
C13H20O2
SMILES
CCCCCCC1=C(C=C(C=C1C)O)O
InChI
InChI=1S/C13H20O2/c1-3-4-5-6-7-12-10(2)8-11(14)9-13(12)15/h8-9,14-15H,3-7H2,1-2H3
InChIKey
VCKRCCNBIYKEFP-UHFFFAOYSA-N
Compound name
4-hexyl-5-methylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

208.14633 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 148.4
[M+Na]+ 231.135548 156.1
[M-H]- 207.139054 149.6
[M+NH4]+ 226.180153 166.9
[M+K]+ 247.109488 152.5
[M+H-H2O]+ 191.143590 143.1
[M+HCOO]- 253.144531 169.1
[M+CH3COO]- 267.160181 185.7
[M+Na-2H]- 229.120996 151.5
[M]+ 208.14578142 150.1
[M]- 208.14687858 150.1
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