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
1
Annotation Hits

0
References

350
Patents

189.10011 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10739 142.9
[M+Na]+ 212.08933 147.5
[M-H]- 188.09283 138.8
[M+NH4]+ 207.13393 159.9
[M+K]+ 228.06327 146.2
[M+H-H2O]+ 172.09737 138.5
[M+HCOO]- 234.09831 160.3
[M+CH3COO]- 248.11396 178.1
[M+Na-2H]- 210.07478 145.8
[M]+ 189.09956 140.8
[M]- 189.10066 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