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 128.6
[M+Na]+ 167.06786 132.7
[M-H]- 143.07136 131.1
[M+NH4]+ 162.11246 141.2
[M+K]+ 183.04180 137.1
[M+H-H2O]+ 127.07590 118.5
[M+HCOO]- 189.07684 146.8
[M+CH3COO]- 203.09249 175.9
[M+Na-2H]- 165.05331 132.9
[M]+ 144.07809 136.9
[M]- 144.07919 136.9
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.