CID 84716673

3-cyclobutyl-2-methoxypropanoic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
COC(CC1CCC1)C(=O)O
InChI
InChI=1S/C8H14O3/c1-11-7(8(9)10)5-6-3-2-4-6/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey
LUBBOAMBRNGHDP-UHFFFAOYSA-N
Compound name
3-cyclobutyl-2-methoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 134.5
[M+Na]+ 181.083518 138.2
[M-H]- 157.087024 136.2
[M+NH4]+ 176.128123 147.8
[M+K]+ 197.057458 141.3
[M+H-H2O]+ 141.091560 124.1
[M+HCOO]- 203.092501 153.2
[M+CH3COO]- 217.108151 178.8
[M+Na-2H]- 179.068966 137.1
[M]+ 158.09375142 142.5
[M]- 158.09484858 142.5
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.