CID 71417182

851372-56-0

Structural Information

Molecular Formula
C6H8N2O3
SMILES
CC1=C(N=C(O1)CN)C(=O)O
InChI
InChI=1S/C6H8N2O3/c1-3-5(6(9)10)8-4(2-7)11-3/h2,7H2,1H3,(H,9,10)
InChIKey
LRGOPKLRRPYNCL-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.0535 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06078 129.9
[M+Na]+ 179.04272 138.9
[M-H]- 155.04622 131.8
[M+NH4]+ 174.08732 149.0
[M+K]+ 195.01666 138.7
[M+H-H2O]+ 139.05076 124.1
[M+HCOO]- 201.05170 152.6
[M+CH3COO]- 215.06735 175.1
[M+Na-2H]- 177.02817 134.3
[M]+ 156.05295 130.5
[M]- 156.05405 130.5
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.