CID 12417071

Propan-2-yl 2-(methylamino)propanoate

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CC(C)OC(=O)C(C)NC

InChI

InChI=1S/C7H15NO2/c1-5(2)10-7(9)6(3)8-4/h5-6,8H,1-4H3

InChIKey

AHZBIPPXGFSEJH-UHFFFAOYSA-N

Compound name

propan-2-yl 2-(methylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 221
Patents: 145.11028 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]+	146.11756	133.0
[M+Na]+	168.09950	141.2
[M+NH4]+	163.14410	140.0
[M+K]+	184.07344	137.8
[M-H]-	144.10300	131.9
[M+Na-2H]-	166.08495	135.4
[M]+	145.10973	133.5
[M]-	145.11083	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe