CID 12639

671-51-2

Structural Information

Molecular Formula
C5H9NO2
SMILES
CCOC(=O)N1CC1
InChI
InChI=1S/C5H9NO2/c1-2-8-5(7)6-3-4-6/h2-4H2,1H3
InChIKey
MGPDSKXOTDLPJE-UHFFFAOYSA-N
Compound name
ethyl aziridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

115.06333 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 126.9
[M+Na]+ 138.05255 136.7
[M-H]- 114.05605 130.5
[M+NH4]+ 133.09715 143.5
[M+K]+ 154.02649 135.8
[M+H-H2O]+ 98.060590 120.5
[M+HCOO]- 160.06153 149.8
[M+CH3COO]- 174.07718 171.6
[M+Na-2H]- 136.03800 133.4
[M]+ 115.06278 130.8
[M]- 115.06388 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe