CID 13545131

[(5-methyl-1,2-oxazol-3-yl)carbamoyl]formic acid

Structural Information

Molecular Formula
C6H6N2O4
SMILES
CC1=CC(=NO1)NC(=O)C(=O)O
InChI
InChI=1S/C6H6N2O4/c1-3-2-4(8-12-3)7-5(9)6(10)11/h2H,1H3,(H,10,11)(H,7,8,9)
InChIKey
YQLZGIZUEZWTTQ-UHFFFAOYSA-N
Compound name
2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

170.03276 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04004 132.0
[M+Na]+ 193.02198 140.1
[M-H]- 169.02548 134.3
[M+NH4]+ 188.06658 150.5
[M+K]+ 208.99592 140.8
[M+H-H2O]+ 153.03002 125.9
[M+HCOO]- 215.03096 154.8
[M+CH3COO]- 229.04661 175.4
[M+Na-2H]- 191.00743 137.1
[M]+ 170.03221 133.2
[M]- 170.03331 133.2
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