CID 9543619

8s-hydroxy-2e-decene-4,6-diynoic acid

Structural Information

Molecular Formula
C10H10O3
SMILES
CC[C@@H](C#CC#C/C=C/C(=O)O)O
InChI
InChI=1S/C10H10O3/c1-2-9(11)7-5-3-4-6-8-10(12)13/h6,8-9,11H,2H2,1H3,(H,12,13)/b8-6+/t9-/m0/s1
InChIKey
CRRZPEMJSQSTDV-ORZBULNSSA-N
Compound name
(E,8S)-8-hydroxydec-2-en-4,6-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.06299 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07027 153.2
[M+Na]+ 201.05221 162.0
[M-H]- 177.05571 152.4
[M+NH4]+ 196.09681 165.6
[M+K]+ 217.02615 158.6
[M+H-H2O]+ 161.06025 140.2
[M+HCOO]- 223.06119 160.3
[M+CH3COO]- 237.07684 203.5
[M+Na-2H]- 199.03766 152.5
[M]+ 178.06244 144.3
[M]- 178.06354 144.3
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

No patent data available for this compound.