CID 3071036

87252-83-3

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

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

InChI

InChI=1S/C12H17NO2/c1-9(2)8-15-12(14)11(13)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3

InChIKey

ULHZNKSOWHFWOU-UHFFFAOYSA-N

Compound name

2-methylpropyl 2-amino-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	208.133206	149.2
[M+Na]+	230.115148	153.9
[M-H]-	206.118654	151.8
[M+NH4]+	225.159753	167.2
[M+K]+	246.089088	152.8
[M+H-H2O]+	190.123190	142.6
[M+HCOO]-	252.124131	170.8
[M+CH3COO]-	266.139781	189.7
[M+Na-2H]-	228.100596	151.1
[M]+	207.12538142	148.5
[M]-	207.12647858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe