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: 1447
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]+	160.133206	137.7
[M+Na]+	182.115148	143.9
[M-H]-	158.118654	137.5
[M+NH4]+	177.159753	158.4
[M+K]+	198.089088	144.0
[M+H-H2O]+	142.123190	133.2
[M+HCOO]-	204.124131	159.5
[M+CH3COO]-	218.139781	180.2
[M+Na-2H]-	180.100596	142.3
[M]+	159.12538142	138.8
[M]-	159.12647858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe