CID 6452178

5001-88-7

Structural Information

Molecular Formula
C8H15NO4
SMILES
CC(=C)C(=O)NC(CO)(CO)CO
InChI
InChI=1S/C8H15NO4/c1-6(2)7(13)9-8(3-10,4-11)5-12/h10-12H,1,3-5H2,2H3,(H,9,13)
InChIKey
PQWVIUSCFLEBHJ-UHFFFAOYSA-N
Compound name
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

374
Patents

189.10011 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.107386 142.9
[M+Na]+ 212.089328 147.5
[M-H]- 188.092834 138.8
[M+NH4]+ 207.133933 159.9
[M+K]+ 228.063268 146.2
[M+H-H2O]+ 172.097370 138.5
[M+HCOO]- 234.098311 160.3
[M+CH3COO]- 248.113961 178.1
[M+Na-2H]- 210.074776 145.8
[M]+ 189.09956142 140.8
[M]- 189.10065858 140.8
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