CID 83814429

1216000-01-9

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₅

SMILES

CC(C)(C)OC(=O)NCCC1=NC(=CO1)C(=O)O

InChI

InChI=1S/C11H16N2O5/c1-11(2,3)18-10(16)12-5-4-8-13-7(6-17-8)9(14)15/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15)

InChIKey

LZOVRFNJESHFCK-UHFFFAOYSA-N

Compound name

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 256.10593 Da
Monoisotopic Mass: 1.2
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]+	257.113206	157.3
[M+Na]+	279.095148	163.5
[M-H]-	255.098654	159.1
[M+NH4]+	274.139753	172.4
[M+K]+	295.069088	164.2
[M+H-H2O]+	239.103190	151.0
[M+HCOO]-	301.104131	177.1
[M+CH3COO]-	315.119781	192.4
[M+Na-2H]-	277.080596	161.0
[M]+	256.10538142	161.2
[M]-	256.10647858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe