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]+ 214.10739 151.6
[M+Na]+ 236.08933 159.4
[M-H]- 212.09283 154.4
[M+NH4]+ 231.13393 164.0
[M+K]+ 252.06327 157.3
[M+H-H2O]+ 196.09737 144.6
[M+HCOO]- 258.09831 171.8
[M+CH3COO]- 272.11396 189.8
[M+Na-2H]- 234.07478 153.3
[M]+ 213.09956 157.6
[M]- 213.10066 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.