CID 79418350

2-(oxolan-3-yl)propanoic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
CC(C1CCOC1)C(=O)O
InChI
InChI=1S/C7H12O3/c1-5(7(8)9)6-2-3-10-4-6/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey
MILXYGVGBFRIEW-UHFFFAOYSA-N
Compound name
2-(oxolan-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

144.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 130.8
[M+Na]+ 167.067858 136.2
[M-H]- 143.071364 133.2
[M+NH4]+ 162.112463 151.6
[M+K]+ 183.041798 137.2
[M+H-H2O]+ 127.075900 126.1
[M+HCOO]- 189.076841 150.2
[M+CH3COO]- 203.092491 170.3
[M+Na-2H]- 165.053306 133.8
[M]+ 144.07809142 128.8
[M]- 144.07918858 128.8
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