CID 7019938

313994-32-0

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CC[C@@H](C(=O)OC(C)(C)C)N

InChI

InChI=1S/C8H17NO2/c1-5-6(9)7(10)11-8(2,3)4/h6H,5,9H2,1-4H3/t6-/m0/s1

InChIKey

UZHNWSLHLJLEAZ-LURJTMIESA-N

Compound name

tert-butyl (2S)-2-aminobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 484
Patents: 159.12593 Da
Monoisotopic Mass: 1.1
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]+	160.133206	137.6
[M+Na]+	182.115148	143.6
[M-H]-	158.118654	137.5
[M+NH4]+	177.159753	158.3
[M+K]+	198.089088	144.2
[M+H-H2O]+	142.123190	133.2
[M+HCOO]-	204.124131	158.4
[M+CH3COO]-	218.139781	181.0
[M+Na-2H]-	180.100596	141.0
[M]+	159.12538142	138.1
[M]-	159.12647858	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe