CID 165463746

Schembl25811871

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

CCOC(=O)/C=C/CN1CCC1

InChI

InChI=1S/C9H15NO2/c1-2-12-9(11)5-3-6-10-7-4-8-10/h3,5H,2,4,6-8H2,1H3/b5-3+

InChIKey

GLNGOHDPMGBJSF-HWKANZROSA-N

Compound name

ethyl (E)-4-(azetidin-1-yl)but-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 169.11028 Da
Monoisotopic Mass: 0.9
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]+	170.11756	137.3
[M+Na]+	192.09950	142.0
[M-H]-	168.10300	138.8
[M+NH4]+	187.14410	149.9
[M+K]+	208.07344	144.2
[M+H-H2O]+	152.10754	126.0
[M+HCOO]-	214.10848	157.1
[M+CH3COO]-	228.12413	181.9
[M+Na-2H]-	190.08495	141.3
[M]+	169.10973	146.6
[M]-	169.11083	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe