CID 15640234

2-(n,2-dimethylpropanamido)acetic acid

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

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

InChI

InChI=1S/C7H13NO3/c1-5(2)7(11)8(3)4-6(9)10/h5H,4H2,1-3H3,(H,9,10)

InChIKey

OUZLKVNNBZFQRE-UHFFFAOYSA-N

Compound name

2-[methyl(2-methylpropanoyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 159.08954 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]+	160.09682	134.6
[M+Na]+	182.07876	140.3
[M-H]-	158.08226	135.0
[M+NH4]+	177.12336	155.0
[M+K]+	198.05270	141.9
[M+H-H2O]+	142.08680	129.6
[M+HCOO]-	204.08774	156.3
[M+CH3COO]-	218.10339	182.0
[M+Na-2H]-	180.06421	136.4
[M]+	159.08899	135.7
[M]-	159.09009	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe