CID 40062

51581-15-8

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CCCCOC(=O)C(C1=CC=CC=C1)N

InChI

InChI=1S/C12H17NO2/c1-2-3-9-15-12(14)11(13)10-7-5-4-6-8-10/h4-8,11H,2-3,9,13H2,1H3

InChIKey

AESPFTAPAXAIPF-UHFFFAOYSA-N

Compound name

butyl 2-amino-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 207.12593 Da
Monoisotopic Mass: 2.2
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]+	208.13321	148.3
[M+Na]+	230.11515	158.5
[M+NH4]+	225.15975	155.7
[M+K]+	246.08909	152.9
[M-H]-	206.11865	150.0
[M+Na-2H]-	228.10060	153.7
[M]+	207.12538	150.0
[M]-	207.12648	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe