CID 2760952

124072-61-3

Structural Information

Molecular Formula

C₉H₁₇NO₄

SMILES

CC(C)(C)OC(=O)N(C)CCC(=O)O

InChI

InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)10(4)6-5-7(11)12/h5-6H2,1-4H3,(H,11,12)

InChIKey

BBIFRGBXCKOUBW-UHFFFAOYSA-N

Compound name

3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 444
Patents: 203.11575 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]+	204.12303	145.9
[M+Na]+	226.10497	152.5
[M+NH4]+	221.14957	150.8
[M+K]+	242.07891	150.9
[M-H]-	202.10847	142.7
[M+Na-2H]-	224.09042	146.7
[M]+	203.11520	145.4
[M]-	203.11630	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe