CID 57567

Ethanediol, acrylate 1-aziridinepropionate

Structural Information

Molecular Formula
C10H15NO4
SMILES
CC(OC(=O)CCN1CC1)OC(=O)C=C
InChI
InChI=1S/C10H15NO4/c1-3-9(12)14-8(2)15-10(13)4-5-11-6-7-11/h3,8H,1,4-7H2,2H3
InChIKey
AJNBWEGIBWFXBB-UHFFFAOYSA-N
Compound name
1-prop-2-enoyloxyethyl 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.10011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.107386 151.6
[M+Na]+ 236.089328 159.4
[M-H]- 212.092834 154.4
[M+NH4]+ 231.133933 164.0
[M+K]+ 252.063268 157.3
[M+H-H2O]+ 196.097370 144.6
[M+HCOO]- 258.098311 171.8
[M+CH3COO]- 272.113961 189.8
[M+Na-2H]- 234.074776 153.3
[M]+ 213.09956142 157.6
[M]- 213.10065858 157.6
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

No patent data available for this compound.