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]+ 187.06011 144.5
[M+Na]+ 209.04205 150.2
[M-H]- 185.04555 145.2
[M+NH4]+ 204.08665 166.1
[M+K]+ 225.01599 153.4
[M+H-H2O]+ 169.05009 139.7
[M+HCOO]- 231.05103 159.6
[M+CH3COO]- 245.06668 181.7
[M+Na-2H]- 207.02750 152.4
[M]+ 186.05228 159.6
[M]- 186.05338 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.