CID 22082901

1185307-84-9

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

COC(=O)C1(CC1C=C)N

InChI

InChI=1S/C7H11NO2/c1-3-5-4-7(5,8)6(9)10-2/h3,5H,1,4,8H2,2H3

InChIKey

HEPZUSCSZCGDFO-UHFFFAOYSA-N

Compound name

methyl 1-amino-2-ethenylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 141.07898 Da
Monoisotopic Mass: 0.1
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]+	142.08626	130.6
[M+Na]+	164.06820	141.5
[M+NH4]+	159.11280	139.9
[M+K]+	180.04214	136.9
[M-H]-	140.07170	138.1
[M+Na-2H]-	162.05365	138.5
[M]+	141.07843	135.3
[M]-	141.07953	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe