CID 16771058

2-[(5-methyl-1,2-oxazol-4-yl)formamido]propanoic acid

Structural Information

Molecular Formula
C8H10N2O4
SMILES
CC1=C(C=NO1)C(=O)NC(C)C(=O)O
InChI
InChI=1S/C8H10N2O4/c1-4(8(12)13)10-7(11)6-3-9-14-5(6)2/h3-4H,1-2H3,(H,10,11)(H,12,13)
InChIKey
YSYLFZOZFKUSCO-UHFFFAOYSA-N
Compound name
2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.071336 141.6
[M+Na]+ 221.053278 148.5
[M-H]- 197.056784 143.6
[M+NH4]+ 216.097883 158.7
[M+K]+ 237.027218 149.2
[M+H-H2O]+ 181.061320 135.2
[M+HCOO]- 243.062261 162.7
[M+CH3COO]- 257.077911 183.1
[M+Na-2H]- 219.038726 144.4
[M]+ 198.06351142 142.9
[M]- 198.06460858 142.9
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

No patent data available for this compound.