CID 154853030

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

Structural Information

Molecular Formula
C8H12O4
SMILES
COCC12CC(C1)(OC2)C(=O)O
InChI
InChI=1S/C8H12O4/c1-11-4-7-2-8(3-7,6(9)10)12-5-7/h2-5H2,1H3,(H,9,10)
InChIKey
YESGDCIUOJLUAP-UHFFFAOYSA-N
Compound name
4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07356 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 140.9
[M+Na]+ 195.06278 147.0
[M-H]- 171.06628 141.6
[M+NH4]+ 190.10738 163.3
[M+K]+ 211.03672 149.6
[M+H-H2O]+ 155.07082 135.9
[M+HCOO]- 217.07176 156.8
[M+CH3COO]- 231.08741 180.2
[M+Na-2H]- 193.04823 149.9
[M]+ 172.07301 156.0
[M]- 172.07411 156.0
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.