CID 46862737

(e)-17-methyloctadec-9-en-5,7-diynoic acid

Structural Information

Molecular Formula
C19H28O2
SMILES
CC(C)CCCCCC/C=C/C#CC#CCCCC(=O)O
InChI
InChI=1S/C19H28O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h3-4,18H,6,8,10,12-17H2,1-2H3,(H,20,21)/b4-3+
InChIKey
HZVYPEZYCVDZGG-ONEGZZNKSA-N
Compound name
(E)-17-methyloctadec-9-en-5,7-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.20892 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.216196 173.7
[M+Na]+ 311.198138 180.6
[M-H]- 287.201644 172.9
[M+NH4]+ 306.242743 183.9
[M+K]+ 327.172078 175.6
[M+H-H2O]+ 271.206180 159.8
[M+HCOO]- 333.207121 179.9
[M+CH3COO]- 347.222771 221.1
[M+Na-2H]- 309.183586 170.7
[M]+ 288.20837142 167.5
[M]- 288.20946858 167.5
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.