CID 384154

Nsc673443

Structural Information

Molecular Formula
C12H12O4
SMILES
C#CCOCC12C=CC(O1)C3C2COC3=O
InChI
InChI=1S/C12H12O4/c1-2-5-14-7-12-4-3-9(16-12)10-8(12)6-15-11(10)13/h1,3-4,8-10H,5-7H2
InChIKey
GYGRMPPKEKYBFK-UHFFFAOYSA-N
Compound name
7-(prop-2-ynoxymethyl)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07356 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 144.3
[M+Na]+ 243.06278 157.4
[M-H]- 219.06628 147.9
[M+NH4]+ 238.10738 167.3
[M+K]+ 259.03672 151.4
[M+H-H2O]+ 203.07082 135.9
[M+HCOO]- 265.07176 159.2
[M+CH3COO]- 279.08741 157.0
[M+Na-2H]- 241.04823 148.7
[M]+ 220.07301 144.0
[M]- 220.07411 144.0
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.