CID 182142

Cyperine

Structural Information

Molecular Formula
C15H16O4
SMILES
CC1=CC(=CC(=C1)OC2=C(C=C(C=C2C)OC)O)O
InChI
InChI=1S/C15H16O4/c1-9-4-11(16)7-13(5-9)19-15-10(2)6-12(18-3)8-14(15)17/h4-8,16-17H,1-3H3
InChIKey
KXXZLMLLYMPYJE-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-5-methylphenoxy)-5-methoxy-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

38
Patents

260.10486 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 158.1
[M+Na]+ 283.09408 172.8
[M+NH4]+ 278.13868 165.6
[M+K]+ 299.06802 166.5
[M-H]- 259.09758 161.5
[M+Na-2H]- 281.07953 165.5
[M]+ 260.10431 161.2
[M]- 260.10541 161.2
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