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]+ 253.179826 159.9
[M+Na]+ 275.161768 167.0
[M-H]- 251.165274 163.4
[M+NH4]+ 270.206373 172.6
[M+K]+ 291.135708 164.9
[M+H-H2O]+ 235.169810 155.1
[M+HCOO]- 297.170751 176.7
[M+CH3COO]- 311.186401 198.0
[M+Na-2H]- 273.147216 160.8
[M]+ 252.17200142 165.6
[M]- 252.17309858 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