CID 5312638

18-nonadecynoic acid

Structural Information

Molecular Formula
C19H34O2
SMILES
C#CCCCCCCCCCCCCCCCCC(=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/h1H,3-18H2,(H,20,21)
InChIKey
KZVSOXSKIQOJLZ-UHFFFAOYSA-N
Compound name
nonadec-18-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

294.2559 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.26318 172.1
[M+Na]+ 317.24512 176.7
[M-H]- 293.24862 168.8
[M+NH4]+ 312.28972 185.4
[M+K]+ 333.21906 172.0
[M+H-H2O]+ 277.25316 160.0
[M+HCOO]- 339.25410 185.1
[M+CH3COO]- 353.26975 211.3
[M+Na-2H]- 315.23057 171.1
[M]+ 294.25535 171.8
[M]- 294.25645 171.8
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