CID 11777299

Xibornol

Structural Information

Molecular Formula
C18H26O
SMILES
CC1=CC(=C(C=C1C)O)C2CC3CCC2(C3(C)C)C
InChI
InChI=1S/C18H26O/c1-11-8-14(16(19)9-12(11)2)15-10-13-6-7-18(15,5)17(13,3)4/h8-9,13,15,19H,6-7,10H2,1-5H3
InChIKey
RNRHMQWZFJXKLZ-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

20
References

1008
Patents

258.19836 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20564 161.0
[M+Na]+ 281.18758 172.2
[M+NH4]+ 276.23218 173.6
[M+K]+ 297.16152 164.7
[M-H]- 257.19108 164.0
[M+Na-2H]- 279.17303 166.6
[M]+ 258.19781 163.8
[M]- 258.19891 163.8
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