CID 93135

Xanthorrhizol

Structural Information

Molecular Formula
C15H22O
SMILES
CC1=C(C=C(C=C1)[C@H](C)CCC=C(C)C)O
InChI
InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3/t12-/m1/s1
InChIKey
FKWGCEDRLNNZOZ-GFCCVEGCSA-N
Compound name
2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

61
References

1047
Patents

218.16707 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 153.1
[M+Na]+ 241.156288 159.4
[M-H]- 217.159794 155.2
[M+NH4]+ 236.200893 171.5
[M+K]+ 257.130228 156.0
[M+H-H2O]+ 201.164330 147.5
[M+HCOO]- 263.165271 172.7
[M+CH3COO]- 277.180921 191.3
[M+Na-2H]- 239.141736 153.8
[M]+ 218.16652142 153.5
[M]- 218.16761858 153.5
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

No patent data available for this compound.