CID 84075589

2241128-30-1

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CNC1(CC1)CC(=O)OC

InChI

InChI=1S/C7H13NO2/c1-8-7(3-4-7)5-6(9)10-2/h8H,3-5H2,1-2H3

InChIKey

HVOOKJCMCQKIJL-UHFFFAOYSA-N

Compound name

methyl 2-[1-(methylamino)cyclopropyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 143.09464 Da
Monoisotopic Mass: 0.5
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]+	144.101916	130.9
[M+Na]+	166.083858	139.6
[M-H]-	142.087364	135.9
[M+NH4]+	161.128463	149.3
[M+K]+	182.057798	139.1
[M+H-H2O]+	126.091900	126.3
[M+HCOO]-	188.092841	155.0
[M+CH3COO]-	202.108491	179.6
[M+Na-2H]-	164.069306	138.1
[M]+	143.09409142	134.9
[M]-	143.09518858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe