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

50
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 126.7
[M+Na]+ 138.05255 136.4
[M-H]- 114.05605 130.2
[M+NH4]+ 133.09715 143.2
[M+K]+ 154.02649 135.5
[M+H-H2O]+ 98.060590 120.3
[M+HCOO]- 160.06153 149.6
[M+CH3COO]- 174.07718 172.3
[M+Na-2H]- 136.03800 133.2
[M]+ 115.06278 130.6
[M]- 115.06388 130.6
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