CID 284090

320601-71-6

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: 35
Patents: 144.07864 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	145.085916	130.3
[M+Na]+	167.067858	135.9
[M-H]-	143.071364	132.6
[M+NH4]+	162.112463	151.1
[M+K]+	183.041798	136.4
[M+H-H2O]+	127.075900	125.5
[M+HCOO]-	189.076841	150.7
[M+CH3COO]-	203.092491	169.4
[M+Na-2H]-	165.053306	134.6
[M]+	144.07809142	128.9
[M]-	144.07918858	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe