CID 42636032

325477-05-2

Structural Information

Molecular Formula
C12H20N2O4
SMILES
C=CC(=O)NCCOCCOCCNC(=O)C=C
InChI
InChI=1S/C12H20N2O4/c1-3-11(15)13-5-7-17-9-10-18-8-6-14-12(16)4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16)
InChIKey
UMVFOWMSJBWRMN-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

256.1423 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14958 161.7
[M+Na]+ 279.13152 167.0
[M+NH4]+ 274.17612 165.3
[M+K]+ 295.10546 162.9
[M-H]- 255.13502 158.9
[M+Na-2H]- 277.11697 161.5
[M]+ 256.14175 160.8
[M]- 256.14285 160.8
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

patents stripe