CID 2755974

42989-85-5

Structural Information

Molecular Formula

C₇H₁₃NO₅

SMILES

CC(C)(C)OC(=O)NOCC(=O)O

InChI

InChI=1S/C7H13NO5/c1-7(2,3)13-6(11)8-12-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)

InChIKey

QBXODCKYUZNZCY-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1446
Patents: 191.07938 Da
Monoisotopic Mass: 0.6
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]+	192.086656	139.6
[M+Na]+	214.068598	145.7
[M-H]-	190.072104	138.7
[M+NH4]+	209.113203	158.2
[M+K]+	230.042538	146.9
[M+H-H2O]+	174.076640	134.9
[M+HCOO]-	236.077581	160.7
[M+CH3COO]-	250.093231	180.8
[M+Na-2H]-	212.054046	144.4
[M]+	191.07883142	142.4
[M]-	191.07992858	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe