CID 109182

68141-16-2

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
3
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]+ 227.200556 160.0
[M+Na]+ 249.182498 163.1
[M-H]- 225.186004 157.9
[M+NH4]+ 244.227103 177.4
[M+K]+ 265.156438 162.0
[M+H-H2O]+ 209.190540 154.9
[M+HCOO]- 271.191481 175.6
[M+CH3COO]- 285.207131 194.5
[M+Na-2H]- 247.167946 156.1
[M]+ 226.19273142 160.6
[M]- 226.19382858 160.6
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.