CID 109182

4-hydroxy-3,6,10-trimethylundec-9-en-2-one

Structural Information

Molecular Formula
C14H26O2
SMILES
CC(CCC=C(C)C)CC(C(C)C(=O)C)O
InChI
InChI=1S/C14H26O2/c1-10(2)7-6-8-11(3)9-14(16)12(4)13(5)15/h7,11-12,14,16H,6,8-9H2,1-5H3
InChIKey
DBYVTQFXXWPQMN-UHFFFAOYSA-N
Compound name
4-hydroxy-3,6,10-trimethylundec-9-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

226.19328 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.20056 159.2
[M+Na]+ 249.18250 166.1
[M+NH4]+ 244.22710 164.7
[M+K]+ 265.15644 162.5
[M-H]- 225.18600 156.4
[M+Na-2H]- 247.16795 158.7
[M]+ 226.19273 159.0
[M]- 226.19383 159.0
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.