CID 45116481

159786-56-8

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

COC(=O)[C@@H]1C[C@H]1CN

InChI

InChI=1S/C6H11NO2/c1-9-6(8)5-2-4(5)3-7/h4-5H,2-3,7H2,1H3/t4-,5+/m0/s1

InChIKey

CMHSWRSLJXDXBH-CRCLSJGQSA-N

Compound name

cis-methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 129.07898 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]+	130.086256	125.5
[M+Na]+	152.068198	134.9
[M-H]-	128.071704	130.2
[M+NH4]+	147.112803	142.6
[M+K]+	168.042138	133.2
[M+H-H2O]+	112.076240	120.0
[M+HCOO]-	174.077181	149.7
[M+CH3COO]-	188.092831	177.6
[M+Na-2H]-	150.053646	130.6
[M]+	129.07843142	128.1
[M]-	129.07952858	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe