CID 135398012

Chebi:142466

Structural Information

Molecular Formula
C15H22O4
SMILES
C/C/1=C\[C@H]([C@@H]([C@@H](C/C(=C/CC1)/C)O)C(=C)C(=O)O)O
InChI
InChI=1S/C15H22O4/c1-9-5-4-6-10(2)8-13(17)14(12(16)7-9)11(3)15(18)19/h5,8,12-14,16-17H,3-4,6-7H2,1-2H3,(H,18,19)/b9-5+,10-8+/t12-,13-,14-/m1/s1
InChIKey
QSQCRXKRLUTFEL-OURLZOILSA-N
Compound name
2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.1518 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 160.1
[M+Na]+ 289.14102 165.6
[M-H]- 265.14452 157.2
[M+NH4]+ 284.18562 172.4
[M+K]+ 305.11496 163.1
[M+H-H2O]+ 249.14906 158.3
[M+HCOO]- 311.15000 174.1
[M+CH3COO]- 325.16565 189.7
[M+Na-2H]- 287.12647 156.6
[M]+ 266.15125 154.0
[M]- 266.15235 154.0
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.