CID 26865

1-(carbomethoxymethyl)aziridine

Structural Information

Molecular Formula

SMILES

COC(=O)CN1CC1

InChI

InChI=1S/C5H9NO2/c1-8-5(7)4-6-2-3-6/h2-4H2,1H3

InChIKey

VWCXRUKYXADUBM-UHFFFAOYSA-N

Compound name

methyl 2-(aziridin-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 115.06333 Da
Monoisotopic Mass: 0.0
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]+	116.070606	126.7
[M+Na]+	138.052548	136.4
[M-H]-	114.056054	130.2
[M+NH4]+	133.097153	143.2
[M+K]+	154.026488	135.5
[M+H-H2O]+	98.060590	120.3
[M+HCOO]-	160.061531	149.6
[M+CH3COO]-	174.077181	172.3
[M+Na-2H]-	136.037996	133.2
[M]+	115.06278142	130.6
[M]-	115.06387858	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe