CID 91870

5-(1,1-dimethylheptyl)resorcinol

Structural Information

Molecular Formula
C15H24O2
SMILES
CCCCCCC(C)(C)C1=CC(=CC(=C1)O)O
InChI
InChI=1S/C15H24O2/c1-4-5-6-7-8-15(2,3)12-9-13(16)11-14(17)10-12/h9-11,16-17H,4-8H2,1-3H3
InChIKey
GWBGUJWRDDDVBI-UHFFFAOYSA-N
Compound name
5-(2-methyloctan-2-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

293
Patents

236.17763 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 158.3
[M+Na]+ 259.166848 164.5
[M-H]- 235.170354 159.0
[M+NH4]+ 254.211453 175.4
[M+K]+ 275.140788 160.9
[M+H-H2O]+ 219.174890 152.9
[M+HCOO]- 281.175831 176.7
[M+CH3COO]- 295.191481 190.9
[M+Na-2H]- 257.152296 161.6
[M]+ 236.17708142 159.8
[M]- 236.17817858 159.8
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