CID 5312637

8,11,14-nonadecatriynoic acid

Structural Information

Molecular Formula
C19H26O2
SMILES
CCCCC#CCC#CCC#CCCCCCCC(=O)O
InChI
InChI=1S/C19H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-4,7,10,13-18H2,1H3,(H,20,21)
InChIKey
KSWMOGCZSMSPAX-UHFFFAOYSA-N
Compound name
nonadeca-8,11,14-triynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

286.19327 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.20055 173.2
[M+Na]+ 309.18249 180.0
[M-H]- 285.18599 175.2
[M+NH4]+ 304.22709 179.8
[M+K]+ 325.15643 175.9
[M+H-H2O]+ 269.19053 161.5
[M+HCOO]- 331.19147 175.3
[M+CH3COO]- 345.20712 234.5
[M+Na-2H]- 307.16794 170.2
[M]+ 286.19272 166.9
[M]- 286.19382 166.9
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