CID 16076149

2,6-nonadecadiynoic acid

Structural Information

Molecular Formula
C19H30O2
SMILES
CCCCCCCCCCCCC#CCCC#CC(=O)O
InChI
InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-12,15-16H2,1H3,(H,20,21)
InChIKey
RDQMWOCSAPSMNK-UHFFFAOYSA-N
Compound name
nonadeca-2,6-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.22458 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.23186 171.1
[M+Na]+ 313.21380 178.0
[M-H]- 289.21730 170.3
[M+NH4]+ 308.25840 181.4
[M+K]+ 329.18774 173.2
[M+H-H2O]+ 273.22184 157.2
[M+HCOO]- 335.22278 177.9
[M+CH3COO]- 349.23843 221.2
[M+Na-2H]- 311.19925 169.3
[M]+ 290.22403 165.9
[M]- 290.22513 165.9
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.