CID 66769209

43129-61-9

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

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

InChI

InChI=1S/C10H13NO/c1-8(12)10(2,11)9-6-4-3-5-7-9/h3-7H,11H2,1-2H3

InChIKey

CCCXMGQBMIIRCJ-UHFFFAOYSA-N

Compound name

3-amino-3-phenylbutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 163.09972 Da
Monoisotopic Mass: 0.9
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]+	164.10700	135.2
[M+Na]+	186.08894	141.9
[M-H]-	162.09244	138.5
[M+NH4]+	181.13354	155.4
[M+K]+	202.06288	140.1
[M+H-H2O]+	146.09698	129.8
[M+HCOO]-	208.09792	157.8
[M+CH3COO]-	222.11357	180.7
[M+Na-2H]-	184.07439	141.6
[M]+	163.09917	133.4
[M]-	163.10027	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe