CID 11117927

Turmeronol a

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1=C(C=C(C=C1)[C@@H](C)CC(=O)C=C(C)C)O
InChI
InChI=1S/C15H20O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5-7,9,12,17H,8H2,1-4H3/t12-/m0/s1
InChIKey
OSIFVLKZUWRNBN-LBPRGKRZSA-N
Compound name
(6S)-6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

58
Patents

232.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.153606 154.6
[M+Na]+ 255.135548 160.8
[M-H]- 231.139054 156.8
[M+NH4]+ 250.180153 172.2
[M+K]+ 271.109488 157.9
[M+H-H2O]+ 215.143590 149.0
[M+HCOO]- 277.144531 173.6
[M+CH3COO]- 291.160181 193.4
[M+Na-2H]- 253.120996 154.2
[M]+ 232.14578142 155.2
[M]- 232.14687858 155.2
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

No patent data available for this compound.