CID 7020335

Tert-butyl 4-aminobutanoate

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CC(C)(C)OC(=O)CCCN

InChI

InChI=1S/C8H17NO2/c1-8(2,3)11-7(10)5-4-6-9/h4-6,9H2,1-3H3

InChIKey

XFZZZOMHBHBURH-UHFFFAOYSA-N

Compound name

tert-butyl 4-aminobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1525
Patents: 159.12593 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]+	160.13321	137.7
[M+Na]+	182.11515	143.9
[M-H]-	158.11865	137.5
[M+NH4]+	177.15975	158.4
[M+K]+	198.08909	144.0
[M+H-H2O]+	142.12319	133.2
[M+HCOO]-	204.12413	159.5
[M+CH3COO]-	218.13978	180.2
[M+Na-2H]-	180.10060	142.3
[M]+	159.12538	138.8
[M]-	159.12648	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe