CID 83479222

2649075-04-5

Structural Information

Molecular Formula
C5H8N2O3
SMILES
C1C(ON=C1C(=O)O)CN
InChI
InChI=1S/C5H8N2O3/c6-2-3-1-4(5(8)9)7-10-3/h3H,1-2,6H2,(H,8,9)
InChIKey
QSSLJSGISMSBBY-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.0535 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.06078 127.1
[M+Na]+ 167.04272 134.6
[M-H]- 143.04622 128.4
[M+NH4]+ 162.08732 146.3
[M+K]+ 183.01666 134.9
[M+H-H2O]+ 127.05076 121.2
[M+HCOO]- 189.05170 148.7
[M+CH3COO]- 203.06735 171.2
[M+Na-2H]- 165.02817 131.8
[M]+ 144.05295 125.5
[M]- 144.05405 125.5
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.