CID 9800472

Bo-653

Structural Information

Molecular Formula
C26H44O2
SMILES
CCCCCC1(CC2=C(O1)C=C(C(=C2C(C)(C)C)O)C(C)(C)C)CCCCC
InChI
InChI=1S/C26H44O2/c1-9-11-13-15-26(16-14-12-10-2)18-19-21(28-26)17-20(24(3,4)5)23(27)22(19)25(6,7)8/h17,27H,9-16,18H2,1-8H3
InChIKey
AGURKSYKTJQPNA-UHFFFAOYSA-N
Compound name
4,6-ditert-butyl-2,2-dipentyl-3H-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

77
Patents

388.33414 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.34142 203.7
[M+Na]+ 411.32336 209.2
[M-H]- 387.32686 206.6
[M+NH4]+ 406.36796 219.6
[M+K]+ 427.29730 205.4
[M+H-H2O]+ 371.33140 199.2
[M+HCOO]- 433.33234 216.4
[M+CH3COO]- 447.34799 225.3
[M+Na-2H]- 409.30881 204.0
[M]+ 388.33359 210.1
[M]- 388.33469 210.1
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