CID 171120994

Polyacetylenic montiporic acid d

Structural Information

Molecular Formula
C18H24O3
SMILES
C=C/C=C\CCCCCCCC#CC#CCOCC(=O)O
InChI
InChI=1S/C18H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18(19)20/h2-4H,1,5-11,16-17H2,(H,19,20)/b4-3-
InChIKey
GIQUYWSMLFXUGV-ARJAWSKDSA-N
Compound name
2-[(13Z)-hexadeca-13,15-dien-2,4-diynoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.17255 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17983 171.2
[M+Na]+ 311.16177 178.6
[M-H]- 287.16527 170.4
[M+NH4]+ 306.20637 181.3
[M+K]+ 327.13571 173.5
[M+H-H2O]+ 271.16981 157.2
[M+HCOO]- 333.17075 178.5
[M+CH3COO]- 347.18640 219.4
[M+Na-2H]- 309.14722 169.4
[M]+ 288.17200 165.6
[M]- 288.17310 165.6
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.