CID 3065927

1-ethyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid (exo,exo)-

Structural Information

Molecular Formula
C10H14O5
SMILES
CCC12CCC(O1)C(C2C(=O)O)C(=O)O
InChI
InChI=1S/C10H14O5/c1-2-10-4-3-5(15-10)6(8(11)12)7(10)9(13)14/h5-7H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKey
SSRIKUWKLSGZSE-UHFFFAOYSA-N
Compound name
1-ethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.08412 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09140 146.1
[M+Na]+ 237.07334 153.1
[M-H]- 213.07684 147.0
[M+NH4]+ 232.11794 169.0
[M+K]+ 253.04728 152.5
[M+H-H2O]+ 197.08138 144.0
[M+HCOO]- 259.08232 162.2
[M+CH3COO]- 273.09797 181.8
[M+Na-2H]- 235.05879 148.3
[M]+ 214.08357 146.8
[M]- 214.08467 146.8
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.