CID 6437069

Gdpe

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
3
Annotation Hits

53
References

88
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 163.8
[M+Na]+ 273.14611 168.0
[M-H]- 249.14961 159.9
[M+NH4]+ 268.19071 179.7
[M+K]+ 289.12005 162.4
[M+H-H2O]+ 233.15415 158.3
[M+HCOO]- 295.15509 182.4
[M+CH3COO]- 309.17074 188.1
[M+Na-2H]- 271.13156 163.9
[M]+ 250.15634 164.4
[M]- 250.15744 164.4
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.