CID 154856941

2460750-73-4

Structural Information

Molecular Formula
C10H16O3
SMILES
CCC12CCC(CC1)(CO2)C(=O)O
InChI
InChI=1S/C10H16O3/c1-2-10-5-3-9(4-6-10,7-13-10)8(11)12/h2-7H2,1H3,(H,11,12)
InChIKey
CVRYTEIFLNZYJG-UHFFFAOYSA-N
Compound name
1-ethyl-2-oxabicyclo[2.2.2]octane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 141.3
[M+Na]+ 207.09916 146.0
[M-H]- 183.10266 137.5
[M+NH4]+ 202.14376 167.2
[M+K]+ 223.07310 145.3
[M+H-H2O]+ 167.10720 137.2
[M+HCOO]- 229.10814 150.2
[M+CH3COO]- 243.12379 151.9
[M+Na-2H]- 205.08461 153.9
[M]+ 184.10939 143.0
[M]- 184.11049 143.0
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.