CID 197183

2-n-hexyl-5-n-propylresorcinol

Structural Information

Molecular Formula
C15H24O2
SMILES
CCCCCCC1=C(C=C(C=C1O)CCC)O
InChI
InChI=1S/C15H24O2/c1-3-5-6-7-9-13-14(16)10-12(8-4-2)11-15(13)17/h10-11,16-17H,3-9H2,1-2H3
InChIKey
VERGPVBZPMTZDY-UHFFFAOYSA-N
Compound name
2-hexyl-5-propylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

37
Patents

236.17763 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 157.7
[M+Na]+ 259.16685 164.4
[M-H]- 235.17035 158.4
[M+NH4]+ 254.21145 174.9
[M+K]+ 275.14079 160.4
[M+H-H2O]+ 219.17489 151.9
[M+HCOO]- 281.17583 177.6
[M+CH3COO]- 295.19148 191.7
[M+Na-2H]- 257.15230 159.6
[M]+ 236.17708 160.1
[M]- 236.17818 160.1
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