CID 2608784

2-pivalamidoacetic acid

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

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

InChI

InChI=1S/C7H13NO3/c1-7(2,3)6(11)8-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)

InChIKey

RTRUEBYROMJFNU-UHFFFAOYSA-N

Compound name

2-(2,2-dimethylpropanoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 90
Patents: 159.08954 Da
Monoisotopic Mass: 0.5
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]+	160.096816	134.4
[M+Na]+	182.078758	140.6
[M-H]-	158.082264	133.6
[M+NH4]+	177.123363	154.4
[M+K]+	198.052698	140.8
[M+H-H2O]+	142.086800	130.2
[M+HCOO]-	204.087741	155.1
[M+CH3COO]-	218.103391	177.2
[M+Na-2H]-	180.064206	139.0
[M]+	159.08899142	134.4
[M]-	159.09008858	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe