CID 5380226

1-aziridineacrylic acid, ethyl ester

Structural Information

Molecular Formula
C7H11NO2
SMILES
CCOC(=O)/C=C/N1CC1
InChI
InChI=1S/C7H11NO2/c1-2-10-7(9)3-4-8-5-6-8/h3-4H,2,5-6H2,1H3/b4-3+
InChIKey
OICDJJATTQWQLV-ONEGZZNKSA-N
Compound name
ethyl (E)-3-(aziridin-1-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 134.5
[M+Na]+ 164.06820 143.8
[M-H]- 140.07170 137.7
[M+NH4]+ 159.11280 150.0
[M+K]+ 180.04214 141.7
[M+H-H2O]+ 124.07624 127.8
[M+HCOO]- 186.07718 156.9
[M+CH3COO]- 200.09283 176.5
[M+Na-2H]- 162.05365 140.0
[M]+ 141.07843 138.4
[M]- 141.07953 138.4
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

No patent data available for this compound.