CID 7019938

H-d-abu-otbu

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: 385
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]+	160.13321	137.1
[M+Na]+	182.11515	144.9
[M+NH4]+	177.15975	143.7
[M+K]+	198.08909	141.9
[M-H]-	158.11865	135.4
[M+Na-2H]-	180.10060	139.1
[M]+	159.12538	137.4
[M]-	159.12648	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe