CID 6437119

(2e,4e,6e,8e,10e,12e)-pentadeca-2,4,6,8,10,12,14-heptaenoic acid

Structural Information

Molecular Formula
C15H16O2
SMILES
C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)O
InChI
InChI=1S/C15H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H,1H2,(H,16,17)/b4-3+,6-5+,8-7+,10-9+,12-11+,14-13+
InChIKey
DTAMQBQGFSVRFE-IDFWPVMJSA-N
Compound name
(2E,4E,6E,8E,10E,12E)-pentadeca-2,4,6,8,10,12,14-heptaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

228.11504 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.122316 154.9
[M+Na]+ 251.104258 160.7
[M-H]- 227.107764 152.8
[M+NH4]+ 246.148863 172.4
[M+K]+ 267.078198 153.8
[M+H-H2O]+ 211.112300 149.9
[M+HCOO]- 273.113241 175.6
[M+CH3COO]- 287.128891 185.5
[M+Na-2H]- 249.089706 155.9
[M]+ 228.11449142 154.0
[M]- 228.11558858 154.0
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

patents stripe