CID 52921785

16:4(2e,4e,8e,10e)(7me[r],9me,14me[r])

Structural Information

Molecular Formula
C19H30O2
SMILES
CC[C@@H](C)CC/C=C/C(=C/[C@H](C)C/C=C/C=C/C(=O)O)/C
InChI
InChI=1S/C19H30O2/c1-5-16(2)11-9-10-13-18(4)15-17(3)12-7-6-8-14-19(20)21/h6-8,10,13-17H,5,9,11-12H2,1-4H3,(H,20,21)/b7-6+,13-10+,14-8+,18-15+/t16-,17-/m1/s1
InChIKey
AHLLEVZDNYBWMJ-SCSFZPQPSA-N
Compound name
(2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.22458 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.23186 178.4
[M+Na]+ 313.21380 180.9
[M-H]- 289.21730 175.6
[M+NH4]+ 308.25840 193.3
[M+K]+ 329.18774 176.1
[M+H-H2O]+ 273.22184 172.7
[M+HCOO]- 335.22278 194.1
[M+CH3COO]- 349.23843 203.9
[M+Na-2H]- 311.19925 173.3
[M]+ 290.22403 179.3
[M]- 290.22513 179.3
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.