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

28
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

literature stripe

Patent stripe

patents stripe