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

26
Patents

290.22458 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.231856 170.7
[M+Na]+ 313.213798 177.6
[M-H]- 289.217304 169.9
[M+NH4]+ 308.258403 180.9
[M+K]+ 329.187738 172.8
[M+H-H2O]+ 273.221840 156.8
[M+HCOO]- 335.222781 177.6
[M+CH3COO]- 349.238431 221.6
[M+Na-2H]- 311.199246 169.0
[M]+ 290.22403142 165.5
[M]- 290.22512858 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