CID 45089110

1000386-67-3

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

COC(=O)C1(CC=CC1)N

InChI

InChI=1S/C7H11NO2/c1-10-6(9)7(8)4-2-3-5-7/h2-3H,4-5,8H2,1H3

InChIKey

SQZXVUHHCHEKDH-UHFFFAOYSA-N

Compound name

methyl 1-aminocyclopent-3-ene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 141.07898 Da
Monoisotopic Mass: 0.2
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	129.6
[M+Na]+	164.06820	138.3
[M+NH4]+	159.11280	139.0
[M+K]+	180.04214	133.8
[M-H]-	140.07170	130.4
[M+Na-2H]-	162.05365	135.4
[M]+	141.07843	130.8
[M]-	141.07953	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe