CID 21464885

1170782-90-7

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

COC(=O)C1(CC1)CN

InChI

InChI=1S/C6H11NO2/c1-9-5(8)6(4-7)2-3-6/h2-4,7H2,1H3

InChIKey

JQIHWQKTYOKPMO-UHFFFAOYSA-N

Compound name

methyl 1-(aminomethyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 145
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]+	130.08626	126.6
[M+Na]+	152.06820	135.8
[M-H]-	128.07170	131.2
[M+NH4]+	147.11280	145.2
[M+K]+	168.04214	135.1
[M+H-H2O]+	112.07624	122.2
[M+HCOO]-	174.07718	150.4
[M+CH3COO]-	188.09283	176.1
[M+Na-2H]-	150.05365	133.3
[M]+	129.07843	129.3
[M]-	129.07953	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe