CID 10633230

6,8,10-pentadecatriynoic acid

Structural Information

Molecular Formula
C15H18O2
SMILES
CCCCC#CC#CC#CCCCCC(=O)O
InChI
InChI=1S/C15H18O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-4,11-14H2,1H3,(H,16,17)
InChIKey
ZRUBGTBVDWZJCR-UHFFFAOYSA-N
Compound name
pentadeca-6,8,10-triynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

230.13068 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13796 167.2
[M+Na]+ 253.11990 174.5
[M-H]- 229.12340 169.3
[M+NH4]+ 248.16450 174.5
[M+K]+ 269.09384 170.8
[M+H-H2O]+ 213.12794 155.7
[M+HCOO]- 275.12888 169.7
[M+CH3COO]- 289.14453 230.7
[M+Na-2H]- 251.10535 164.9
[M]+ 230.13013 160.3
[M]- 230.13123 160.3
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

No patent data available for this compound.