CID 70679005

All-trans-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid

Structural Information

Molecular Formula
C16H24O3
SMILES
CCCCC/C=C/C=C/C(C/C=C/C=C/C(=O)O)O
InChI
InChI=1S/C16H24O3/c1-2-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16(18)19/h6-12,14-15,17H,2-5,13H2,1H3,(H,18,19)/b7-6+,10-8+,12-9+,14-11+
InChIKey
CMIWOGJRXHRRFL-CQWJRODPSA-N
Compound name
(2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.17255 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17983 168.5
[M+Na]+ 287.16177 172.0
[M-H]- 263.16527 164.5
[M+NH4]+ 282.20637 183.7
[M+K]+ 303.13571 166.7
[M+H-H2O]+ 247.16981 162.9
[M+HCOO]- 309.17075 185.8
[M+CH3COO]- 323.18640 192.6
[M+Na-2H]- 285.14722 166.8
[M]+ 264.17200 168.9
[M]- 264.17310 168.9
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.