CID 126457314

Delta14-10-phytof

Structural Information

Molecular Formula
C18H32O6
SMILES
CCC(/C=C/C1C(CC(O1)C(CCCCCCCC(=O)O)O)O)O
InChI
InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+
InChIKey
ABMOBHDJIUJCNP-ZHACJKMWSA-N
Compound name
9-hydroxy-9-[4-hydroxy-5-[(E)-3-hydroxypent-1-enyl]oxolan-2-yl]nonanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.21988 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.22716 188.4
[M+Na]+ 367.20910 189.2
[M-H]- 343.21260 185.3
[M+NH4]+ 362.25370 199.1
[M+K]+ 383.18304 186.7
[M+H-H2O]+ 327.21714 182.4
[M+HCOO]- 389.21808 199.3
[M+CH3COO]- 403.23373 204.6
[M+Na-2H]- 365.19455 182.1
[M]+ 344.21933 188.4
[M]- 344.22043 188.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.