CID 56935883

7-f2-dihomo-isop

Structural Information

Molecular Formula
C22H38O5
SMILES
CCCCC/C=C\CC1C(CC(C1/C=C/C(CCCCCC(=O)O)O)O)O
InChI
InChI=1S/C22H38O5/c1-2-3-4-5-6-9-12-18-19(21(25)16-20(18)24)15-14-17(23)11-8-7-10-13-22(26)27/h6,9,14-15,17-21,23-25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+
InChIKey
QILWIJCKQCKOMR-LSEOUJGGSA-N
Compound name
(E)-9-[3,5-dihydroxy-2-[(Z)-oct-2-enyl]cyclopentyl]-7-hydroxynon-8-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2719 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.27918 200.5
[M+Na]+ 405.26112 201.2
[M-H]- 381.26462 196.4
[M+NH4]+ 400.30572 211.4
[M+K]+ 421.23506 195.3
[M+H-H2O]+ 365.26916 194.4
[M+HCOO]- 427.27010 211.9
[M+CH3COO]- 441.28575 213.1
[M+Na-2H]- 403.24657 191.8
[M]+ 382.27135 200.2
[M]- 382.27245 200.2
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.