CID 19067421

2,4-nonadecadiynoic acid

Structural Information

Molecular Formula
C19H30O2
SMILES
CCCCCCCCCCCCCCC#CC#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/h2-14H2,1H3,(H,20,21)
InChIKey
LFKNZQNITZRUEE-UHFFFAOYSA-N
Compound name
nonadeca-2,4-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

290.22458 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.23186 170.7
[M+Na]+ 313.21380 177.6
[M-H]- 289.21730 169.9
[M+NH4]+ 308.25840 180.9
[M+K]+ 329.18774 172.8
[M+H-H2O]+ 273.22184 156.8
[M+HCOO]- 335.22278 177.6
[M+CH3COO]- 349.23843 221.6
[M+Na-2H]- 311.19925 169.0
[M]+ 290.22403 165.5
[M]- 290.22513 165.5
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

patents stripe