CID 84716675

2-cyclobutyl-2-ethoxyacetic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
CCOC(C1CCC1)C(=O)O
InChI
InChI=1S/C8H14O3/c1-2-11-7(8(9)10)6-4-3-5-6/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey
LSVUXSLJJAFDLL-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2-ethoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 136.3
[M+Na]+ 181.08352 140.4
[M+NH4]+ 176.12812 139.4
[M+K]+ 197.05746 138.6
[M-H]- 157.08702 132.9
[M+Na-2H]- 179.06897 136.6
[M]+ 158.09375 134.4
[M]- 158.09485 134.4
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.