CID 131839770

6z-eicosenoic acid

Structural Information

Molecular Formula
C20H38O2
SMILES
CCCCCCCCCCCCC/C=C\CCCCC(=O)O
InChI
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h14-15H,2-13,16-19H2,1H3,(H,21,22)/b15-14-
InChIKey
VOPBLMPBKXUWGM-PFONDFGASA-N
Compound name
(Z)-icos-6-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.28717 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.294446 186.8
[M+Na]+ 333.276388 188.2
[M-H]- 309.279894 183.1
[M+NH4]+ 328.320993 200.9
[M+K]+ 349.250328 183.5
[M+H-H2O]+ 293.284430 179.9
[M+HCOO]- 355.285371 204.3
[M+CH3COO]- 369.301021 209.0
[M+Na-2H]- 331.261836 184.6
[M]+ 310.28662142 192.2
[M]- 310.28771858 192.2
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.