CID 11412436

426226-35-9

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

COC(=O)[C@@H]1C[C@@H](C=C1)N

InChI

InChI=1S/C7H11NO2/c1-10-7(9)5-2-3-6(8)4-5/h2-3,5-6H,4,8H2,1H3/t5-,6+/m0/s1

InChIKey

ANVYHALMQXHQSG-NTSWFWBYSA-N

Compound name

methyl (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 135
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	129.3
[M+Na]+	164.06820	138.2
[M+NH4]+	159.11280	137.2
[M+K]+	180.04214	135.7
[M-H]-	140.07170	130.2
[M+Na-2H]-	162.05365	133.3
[M]+	141.07843	130.4
[M]-	141.07953	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe