CID 6437059

Unii-nt3h35fb86

Structural Information

Molecular Formula
C20H30O2
SMILES
CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)O
InChI
InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h10-19H,2-9H2,1H3,(H,21,22)/b11-10+,13-12+,15-14+,17-16+,19-18+
InChIKey
SBHCLVQMTBWHCD-METXMMQOSA-N
Compound name
(2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

79
References

61994
Patents

302.22458 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.231856 180.6
[M+Na]+ 325.213798 183.6
[M-H]- 301.217304 177.3
[M+NH4]+ 320.258403 195.2
[M+K]+ 341.187738 176.5
[M+H-H2O]+ 285.221840 174.4
[M+HCOO]- 347.222781 199.1
[M+CH3COO]- 361.238431 203.0
[M+Na-2H]- 323.199246 178.8
[M]+ 302.22403142 183.0
[M]- 302.22512858 183.0
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.