CID 5312630

7,10-hexadecadiynoic acid

Structural Information

Molecular Formula
C16H24O2
SMILES
CCCCCC#CCC#CCCCCCC(=O)O
InChI
InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-5,8,11-15H2,1H3,(H,17,18)
InChIKey
GBPLHEVQWNMCPB-UHFFFAOYSA-N
Compound name
hexadeca-7,10-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

248.17763 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.184906 163.4
[M+Na]+ 271.166848 171.0
[M-H]- 247.170354 162.8
[M+NH4]+ 266.211453 174.7
[M+K]+ 287.140788 166.7
[M+H-H2O]+ 231.174890 149.8
[M+HCOO]- 293.175831 170.8
[M+CH3COO]- 307.191481 215.5
[M+Na-2H]- 269.152296 162.5
[M]+ 248.17708142 157.3
[M]- 248.17817858 157.3
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