CID 145913394

2377030-85-6

Structural Information

Molecular Formula
C8H10O5
SMILES
COC(=O)C12CC(C1)(OC2)C(=O)O
InChI
InChI=1S/C8H10O5/c1-12-6(11)7-2-8(3-7,5(9)10)13-4-7/h2-4H2,1H3,(H,9,10)
InChIKey
LRRYXWGHRAZADB-UHFFFAOYSA-N
Compound name
4-methoxycarbonyl-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.05283 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.060106 144.5
[M+Na]+ 209.042048 150.2
[M-H]- 185.045554 145.2
[M+NH4]+ 204.086653 166.1
[M+K]+ 225.015988 153.4
[M+H-H2O]+ 169.050090 139.7
[M+HCOO]- 231.051031 159.6
[M+CH3COO]- 245.066681 181.7
[M+Na-2H]- 207.027496 152.4
[M]+ 186.05228142 159.6
[M]- 186.05337858 159.6
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.