CID 12774812

Methyl 3-(isopropylamino)propanoate

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CC(C)NCCC(=O)OC

InChI

InChI=1S/C7H15NO2/c1-6(2)8-5-4-7(9)10-3/h6,8H,4-5H2,1-3H3

InChIKey

CDMLINZNKOVCCN-UHFFFAOYSA-N

Compound name

methyl 3-(propan-2-ylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 145.11028 Da
Monoisotopic Mass: 0.4
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	132.7
[M+Na]+	168.09950	141.2
[M+NH4]+	163.14410	139.8
[M+K]+	184.07344	137.0
[M-H]-	144.10300	131.8
[M+Na-2H]-	166.08495	135.5
[M]+	145.10973	133.3
[M]-	145.11083	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe