CID 12638

Aziridinecarboxylic acid, methyl ester

Structural Information

Molecular Formula
C4H7NO2
SMILES
COC(=O)N1CC1
InChI
InChI=1S/C4H7NO2/c1-7-4(6)5-2-3-5/h2-3H2,1H3
InChIKey
UYCMTEJRGMIQLS-UHFFFAOYSA-N
Compound name
methyl aziridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

101.047676 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 122.6
[M+Na]+ 124.03689 132.8
[M-H]- 100.04040 126.3
[M+NH4]+ 119.08150 139.8
[M+K]+ 140.01083 132.1
[M+H-H2O]+ 84.044936 116.4
[M+HCOO]- 146.04588 145.8
[M+CH3COO]- 160.06153 168.7
[M+Na-2H]- 122.02234 129.6
[M]+ 101.04713 126.1
[M]- 101.04822 126.1
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