CID 23497498

3-amino-2-methyl-2,5-dihydro-1,2-oxazol-5-one

Structural Information

Molecular Formula
C4H6N2O2
SMILES
CN1C(=CC(=O)O1)N
InChI
InChI=1S/C4H6N2O2/c1-6-3(5)2-4(7)8-6/h2H,5H2,1H3
InChIKey
GXNDRIMNFKYUGV-UHFFFAOYSA-N
Compound name
3-amino-2-methyl-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

114.04293 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.05021 116.6
[M+Na]+ 137.03215 127.3
[M-H]- 113.03565 120.2
[M+NH4]+ 132.07675 138.4
[M+K]+ 153.00609 127.6
[M+H-H2O]+ 97.040190 111.2
[M+HCOO]- 159.04113 142.3
[M+CH3COO]- 173.05678 168.5
[M+Na-2H]- 135.01760 123.9
[M]+ 114.04238 117.7
[M]- 114.04348 117.7
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