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]+ 177.05463 140.5
[M+Na]+ 199.03657 158.3
[M-H]- 175.04007 146.4
[M+NH4]+ 194.08117 152.5
[M+K]+ 215.01051 150.7
[M+H-H2O]+ 159.04461 131.0
[M+HCOO]- 221.04555 151.8
[M+CH3COO]- 235.06120 206.6
[M+Na-2H]- 197.02202 145.2
[M]+ 176.04680 138.0
[M]- 176.04790 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.