CID 10538431

137130-65-5

Structural Information

Molecular Formula

C₁₀H₁₇NO₆

SMILES

CC(C)(C)OC(=O)N[C@H](CC(=O)O)C(=O)OC

InChI

InChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11-6(5-7(12)13)8(14)16-4/h6H,5H2,1-4H3,(H,11,15)(H,12,13)/t6-/m1/s1

InChIKey

IWFIVTBTZUCTQH-ZCFIWIBFSA-N

Compound name

(3R)-4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 179
Patents: 247.10559 Da
Monoisotopic Mass: 0.4
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]+	248.112866	153.7
[M+Na]+	270.094808	158.3
[M-H]-	246.098314	152.4
[M+NH4]+	265.139413	169.8
[M+K]+	286.068748	159.9
[M+H-H2O]+	230.102850	148.6
[M+HCOO]-	292.103791	172.3
[M+CH3COO]-	306.119441	192.3
[M+Na-2H]-	268.080256	154.8
[M]+	247.10504142	157.0
[M]-	247.10613858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe