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]+ 199.07134 141.6
[M+Na]+ 221.05328 148.5
[M-H]- 197.05678 143.6
[M+NH4]+ 216.09788 158.7
[M+K]+ 237.02722 149.2
[M+H-H2O]+ 181.06132 135.2
[M+HCOO]- 243.06226 162.7
[M+CH3COO]- 257.07791 183.1
[M+Na-2H]- 219.03873 144.4
[M]+ 198.06351 142.9
[M]- 198.06461 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.