CID 6437069

1-(1-glycero)dodeca-1,3,5,7,9-pentaene

Structural Information

Molecular Formula
C15H22O3
SMILES
CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O
InChI
InChI=1S/C15H22O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h3-12,15-17H,2,13-14H2,1H3/b4-3+,6-5+,8-7+,10-9+,12-11+
InChIKey
CQBOBCAMYWRTNO-STAPSFGWSA-N
Compound name
3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

53
References

84
Patents

250.15689 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 165.1
[M+Na]+ 273.14611 172.2
[M+NH4]+ 268.19071 169.0
[M+K]+ 289.12005 165.6
[M-H]- 249.14961 161.2
[M+Na-2H]- 271.13156 164.2
[M]+ 250.15634 164.3
[M]- 250.15744 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe