CID 9543597

7,10,13,16-docosatetraynoic acid

Structural Information

Molecular Formula
C22H28O2
SMILES
CCCCCC#CCC#CCC#CCC#CCCCCCC(=O)O
InChI
InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-5,8,11,14,17-21H2,1H3,(H,23,24)
InChIKey
VRQJCBQYXJISJK-UHFFFAOYSA-N
Compound name
docosa-7,10,13,16-tetraynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

324.20892 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21620 168.3
[M+Na]+ 347.19814 173.2
[M-H]- 323.20164 171.5
[M+NH4]+ 342.24274 171.7
[M+K]+ 363.17208 170.1
[M+H-H2O]+ 307.20618 160.9
[M+HCOO]- 369.20712 168.1
[M+CH3COO]- 383.22277 246.3
[M+Na-2H]- 345.18359 164.9
[M]+ 324.20837 163.9
[M]- 324.20947 163.9
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