CID 54312807

1342846-58-5

Structural Information

Molecular Formula

C₇H₁₃NO₄

SMILES

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

InChI

InChI=1S/C7H13NO4/c1-7(2,5(9)10)8(3)6(11)12-4/h1-4H3,(H,9,10)

InChIKey

SMBYBCPGVLQCKI-UHFFFAOYSA-N

Compound name

2-[methoxycarbonyl(methyl)amino]-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 175.08446 Da
Monoisotopic Mass: 0.3
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]+	176.091736	135.8
[M+Na]+	198.073678	142.1
[M-H]-	174.077184	136.4
[M+NH4]+	193.118283	155.7
[M+K]+	214.047618	144.2
[M+H-H2O]+	158.081720	131.3
[M+HCOO]-	220.082661	157.2
[M+CH3COO]-	234.098311	182.8
[M+Na-2H]-	196.059126	139.8
[M]+	175.08391142	138.5
[M]-	175.08500858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe