CID 23724771

Chebi:83274

Structural Information

Molecular Formula
C15H24O3
SMILES
C/C(=C\CC/C(=C/C(=O)O)/C)/CC[C@@H]1C(O1)(C)C
InChI
InChI=1S/C15H24O3/c1-11(8-9-13-15(3,4)18-13)6-5-7-12(2)10-14(16)17/h6,10,13H,5,7-9H2,1-4H3,(H,16,17)/b11-6+,12-10+/t13-/m1/s1
InChIKey
DIAZNFMKLJLDNM-AQAKBEBOSA-N
Compound name
(2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

252.17255 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 159.9
[M+Na]+ 275.16177 167.0
[M-H]- 251.16527 163.4
[M+NH4]+ 270.20637 172.6
[M+K]+ 291.13571 164.9
[M+H-H2O]+ 235.16981 155.1
[M+HCOO]- 297.17075 176.7
[M+CH3COO]- 311.18640 198.0
[M+Na-2H]- 273.14722 160.8
[M]+ 252.17200 165.6
[M]- 252.17310 165.6
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

patents stripe