CID 82412955

1368098-73-0

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

CC1=NOC(=C1)CCCC(=O)O

InChI

InChI=1S/C8H11NO3/c1-6-5-7(12-9-6)3-2-4-8(10)11/h5H,2-4H2,1H3,(H,10,11)

InChIKey

JGDNWRXFTCHCBR-UHFFFAOYSA-N

Compound name

4-(3-methyl-1,2-oxazol-5-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 169.0739 Da
Monoisotopic Mass: 0.9
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]+	170.08118	134.5
[M+Na]+	192.06312	142.7
[M-H]-	168.06662	136.3
[M+NH4]+	187.10772	153.5
[M+K]+	208.03706	142.5
[M+H-H2O]+	152.07116	128.7
[M+HCOO]-	214.07210	156.3
[M+CH3COO]-	228.08775	175.5
[M+Na-2H]-	190.04857	139.4
[M]+	169.07335	137.3
[M]-	169.07445	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe