CID 184024

Curcudiol

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1=CC(=C(C=C1)[C@@H](C)CCCC(C)(C)O)O
InChI
InChI=1S/C15H24O2/c1-11-7-8-13(14(16)10-11)12(2)6-5-9-15(3,4)17/h7-8,10,12,16-17H,5-6,9H2,1-4H3/t12-/m0/s1
InChIKey
TYUONEYWBLIYDF-LBPRGKRZSA-N
Compound name
2-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

236.17763 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 157.9
[M+Na]+ 259.16685 163.9
[M-H]- 235.17035 158.7
[M+NH4]+ 254.21145 175.0
[M+K]+ 275.14079 160.9
[M+H-H2O]+ 219.17489 152.7
[M+HCOO]- 281.17583 175.4
[M+CH3COO]- 295.19148 191.8
[M+Na-2H]- 257.15230 160.1
[M]+ 236.17708 158.8
[M]- 236.17818 158.8
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