CID 20836308

(z)-5-hydroxy-7-decen-2-ynoic acid

Structural Information

Molecular Formula
C10H14O3
SMILES
CC/C=C\CC(CC#CC(=O)O)O
InChI
InChI=1S/C10H14O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h3-4,9,11H,2,6-7H2,1H3,(H,12,13)/b4-3-
InChIKey
MNXCKMDBIGRQOV-ARJAWSKDSA-N
Compound name
(Z)-5-hydroxydec-7-en-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.101576 143.0
[M+Na]+ 205.083518 150.6
[M-H]- 181.087024 140.0
[M+NH4]+ 200.128123 159.6
[M+K]+ 221.057458 147.8
[M+H-H2O]+ 165.091560 132.5
[M+HCOO]- 227.092501 156.7
[M+CH3COO]- 241.108151 184.8
[M+Na-2H]- 203.068966 144.1
[M]+ 182.09375142 137.5
[M]- 182.09484858 137.5
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.