CID 176472503

2,10,11-trihydroxy-7,11-dimethyl-3-methylidenedodec-6-enoic acid

Structural Information

Molecular Formula
C15H26O5
SMILES
CC(=CCCC(=C)C(C(=O)O)O)CCC(C(C)(C)O)O
InChI
InChI=1S/C15H26O5/c1-10(8-9-12(16)15(3,4)20)6-5-7-11(2)13(17)14(18)19/h6,12-13,16-17,20H,2,5,7-9H2,1,3-4H3,(H,18,19)
InChIKey
HCFSKDXEKLDAST-UHFFFAOYSA-N
Compound name
2,10,11-trihydroxy-7,11-dimethyl-3-methylidenedodec-6-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.178 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.185276 170.9
[M+Na]+ 309.167218 172.7
[M-H]- 285.170724 164.5
[M+NH4]+ 304.211823 183.4
[M+K]+ 325.141158 170.5
[M+H-H2O]+ 269.175260 166.3
[M+HCOO]- 331.176201 181.0
[M+CH3COO]- 345.191851 195.8
[M+Na-2H]- 307.152666 166.1
[M]+ 286.17745142 169.2
[M]- 286.17854858 169.2
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.