CID 15958430

2-nonadecynoic acid

Structural Information

Molecular Formula
C19H34O2
SMILES
CCCCCCCCCCCCCCCCC#CC(=O)O
InChI
InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-16H2,1H3,(H,20,21)
InChIKey
ORWWKFXXUOQGFS-UHFFFAOYSA-N
Compound name
nonadec-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

294.2559 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.26318 172.8
[M+Na]+ 317.24512 177.6
[M-H]- 293.24862 169.6
[M+NH4]+ 312.28972 186.3
[M+K]+ 333.21906 172.9
[M+H-H2O]+ 277.25316 160.8
[M+HCOO]- 339.25410 185.9
[M+CH3COO]- 353.26975 210.1
[M+Na-2H]- 315.23057 171.7
[M]+ 294.25535 172.3
[M]- 294.25645 172.3
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.