CID 2733845

30992-29-1

Structural Information

Molecular Formula

C₉H₁₇NO₄

SMILES

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

InChI

InChI=1S/C9H17NO4/c1-8(2,3)14-7(13)10-9(4,5)6(11)12/h1-5H3,(H,10,13)(H,11,12)

InChIKey

MFNXWZGIFWJHMI-UHFFFAOYSA-N

Compound name

2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3481
Patents: 203.11575 Da
Monoisotopic Mass: 1.1
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]+	204.12303	144.8
[M+Na]+	226.10497	150.6
[M-H]-	202.10847	144.0
[M+NH4]+	221.14957	163.2
[M+K]+	242.07891	151.3
[M+H-H2O]+	186.11301	140.9
[M+HCOO]-	248.11395	163.5
[M+CH3COO]-	262.12960	185.1
[M+Na-2H]-	224.09042	149.6
[M]+	203.11520	146.4
[M]-	203.11630	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe