CID 26865

1-(carbomethoxymethyl)aziridine

Structural Information

Molecular Formula
C5H9NO2
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

10
Patents

115.06333 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 124.2
[M+Na]+ 138.05255 136.1
[M+NH4]+ 133.09715 132.4
[M+K]+ 154.02649 132.9
[M-H]- 114.05605 130.8
[M+Na-2H]- 136.03800 131.5
[M]+ 115.06278 128.6
[M]- 115.06388 128.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe