CID 82594518

2413885-30-8

Structural Information

Molecular Formula
C7H12O3
SMILES
CCC(C1COC1)C(=O)O
InChI
InChI=1S/C7H12O3/c1-2-6(7(8)9)5-3-10-4-5/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey
FUNIOTVRTIYHSC-UHFFFAOYSA-N
Compound name
2-(oxetan-3-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 131.3
[M+Na]+ 167.06786 136.0
[M+NH4]+ 162.11246 134.4
[M+K]+ 183.04180 134.8
[M-H]- 143.07136 129.2
[M+Na-2H]- 165.05331 131.5
[M]+ 144.07809 129.9
[M]- 144.07919 129.9
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.