CID 284090

3-(oxolan-3-yl)propanoic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
C1COCC1CCC(=O)O
InChI
InChI=1S/C7H12O3/c8-7(9)2-1-6-3-4-10-5-6/h6H,1-5H2,(H,8,9)
InChIKey
BDSWHYOGIBXFJX-UHFFFAOYSA-N
Compound name
3-(oxolan-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

144.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 130.3
[M+Na]+ 167.06786 135.9
[M-H]- 143.07136 132.6
[M+NH4]+ 162.11246 151.1
[M+K]+ 183.04180 136.4
[M+H-H2O]+ 127.07590 125.5
[M+HCOO]- 189.07684 150.7
[M+CH3COO]- 203.09249 169.4
[M+Na-2H]- 165.05331 134.6
[M]+ 144.07809 128.9
[M]- 144.07919 128.9
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

patents stripe