CID 131839786

8,9-epoxy-2z-decene-4,6-diynoic acid

Structural Information

Molecular Formula
C10H8O3
SMILES
CC1C(O1)C#CC#C/C=C\C(=O)O
InChI
InChI=1S/C10H8O3/c1-8-9(13-8)6-4-2-3-5-7-10(11)12/h5,7-9H,1H3,(H,11,12)/b7-5-
InChIKey
UBMRQHZPEXIXEJ-ALCCZGGFSA-N
Compound name
(Z)-7-(3-methyloxiran-2-yl)hept-2-en-4,6-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.04735 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.054626 140.5
[M+Na]+ 199.036568 158.3
[M-H]- 175.040074 146.4
[M+NH4]+ 194.081173 152.5
[M+K]+ 215.010508 150.7
[M+H-H2O]+ 159.044610 131.0
[M+HCOO]- 221.045551 151.8
[M+CH3COO]- 235.061201 206.6
[M+Na-2H]- 197.022016 145.2
[M]+ 176.04680142 138.0
[M]- 176.04789858 138.0
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.