CID 414246

6939-23-7

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

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

InChI

InChI=1S/C6H13NO2/c1-6(2,3)7-4-5(8)9/h7H,4H2,1-3H3,(H,8,9)

InChIKey

TXHAHOVNFDVCCC-UHFFFAOYSA-N

Compound name

2-(tert-butylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22094
Patents: 131.09464 Da
Monoisotopic Mass: -1.9
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]+	132.10192	128.5
[M+Na]+	154.08386	135.0
[M-H]-	130.08736	127.7
[M+NH4]+	149.12846	149.7
[M+K]+	170.05780	135.0
[M+H-H2O]+	114.09190	124.5
[M+HCOO]-	176.09284	150.0
[M+CH3COO]-	190.10849	172.8
[M+Na-2H]-	152.06931	134.6
[M]+	131.09409	128.0
[M]-	131.09519	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe