CID 14040494

138326-68-8

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

COC(=O)C(C1CC1)N

InChI

InChI=1S/C6H11NO2/c1-9-6(8)5(7)4-2-3-4/h4-5H,2-3,7H2,1H3

InChIKey

NZIFONPEUDXXJV-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-cyclopropylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 201
Patents: 129.07898 Da
Monoisotopic Mass: 0.0
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]+	130.086256	125.7
[M+Na]+	152.068198	134.0
[M-H]-	128.071704	130.1
[M+NH4]+	147.112803	142.4
[M+K]+	168.042138	132.9
[M+H-H2O]+	112.076240	120.1
[M+HCOO]-	174.077181	149.1
[M+CH3COO]-	188.092831	177.4
[M+Na-2H]-	150.053646	130.3
[M]+	129.07843142	127.4
[M]-	129.07952858	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe