CID 19756641

113525-87-4

Structural Information

Molecular Formula

C₉H₁₇NO₅

SMILES

CC(C)(C)OC(=O)NCC(C(=O)OC)O

InChI

InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-5-6(11)7(12)14-4/h6,11H,5H2,1-4H3,(H,10,13)

InChIKey

DQTVOWNRRLNDEY-UHFFFAOYSA-N

Compound name

methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 219.11067 Da
Monoisotopic Mass: 0.2
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]+	220.11795	149.0
[M+Na]+	242.09989	154.5
[M+NH4]+	237.14449	153.0
[M+K]+	258.07383	153.8
[M-H]-	218.10339	144.7
[M+Na-2H]-	240.08534	148.7
[M]+	219.11012	147.9
[M]-	219.11122	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe