CID 44150426

85030-50-8

Structural Information

Molecular Formula
C13H22N2O6
SMILES
C=CC(=O)NCOCC(CO)(CO)COCNC(=O)C=C
InChI
InChI=1S/C13H22N2O6/c1-3-11(18)14-9-20-7-13(5-16,6-17)8-21-10-15-12(19)4-2/h3-4,16-17H,1-2,5-10H2,(H,14,18)(H,15,19)
InChIKey
QFNMALAPRQGEBL-UHFFFAOYSA-N
Compound name
N-[[2,2-bis(hydroxymethyl)-3-[(prop-2-enoylamino)methoxy]propoxy]methyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

302.1478 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15508 170.2
[M+Na]+ 325.13702 172.9
[M+NH4]+ 320.18162 171.5
[M+K]+ 341.11096 171.7
[M-H]- 301.14052 164.5
[M+Na-2H]- 323.12247 167.7
[M]+ 302.14725 167.9
[M]- 302.14835 167.9
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