CID 263161

3-(oxolan-2-yl)propanoic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
C1CC(OC1)CCC(=O)O
InChI
InChI=1S/C7H12O3/c8-7(9)4-3-6-2-1-5-10-6/h6H,1-5H2,(H,8,9)
InChIKey
WUPHOULIZUERAE-UHFFFAOYSA-N
Compound name
3-(oxolan-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

76400
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 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

literature stripe

Patent stripe

patents stripe