CID 177348

2-dodeca-2,4-diynoxyacetic acid

Structural Information

Molecular Formula
C14H20O3
SMILES
CCCCCCCC#CC#CCOCC(=O)O
InChI
InChI=1S/C14H20O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(15)16/h2-7,12-13H2,1H3,(H,15,16)
InChIKey
FNMQEBVGAFDLDK-UHFFFAOYSA-N
Compound name
2-dodeca-2,4-diynoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.14125 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14853 158.7
[M+Na]+ 259.13047 166.8
[M-H]- 235.13397 158.3
[M+NH4]+ 254.17507 170.2
[M+K]+ 275.10441 163.3
[M+H-H2O]+ 219.13851 145.2
[M+HCOO]- 281.13945 166.7
[M+CH3COO]- 295.15510 213.3
[M+Na-2H]- 257.11592 158.5
[M]+ 236.14070 153.2
[M]- 236.14180 153.2
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.