CID 155821387

1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid

Structural Information

Molecular Formula
C8H12O4
SMILES
COCC12CC(C1)(CO2)C(=O)O
InChI
InChI=1S/C8H12O4/c1-11-5-8-2-7(3-8,4-12-8)6(9)10/h2-5H2,1H3,(H,9,10)
InChIKey
PNGUVNDNNIMJHW-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

172.07356 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 132.4
[M+Na]+ 195.06278 134.6
[M+NH4]+ 190.10738 139.5
[M+K]+ 211.03672 133.3
[M-H]- 171.06628 127.1
[M+Na-2H]- 193.04823 129.7
[M]+ 172.07301 130.0
[M]- 172.07411 130.0
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

patents stripe