CID 12269041

4,5-dihydro-1,2-oxazol-3-amine

Structural Information

Molecular Formula
C3H6N2O
SMILES
C1CON=C1N
InChI
InChI=1S/C3H6N2O/c4-3-1-2-6-5-3/h1-2H2,(H2,4,5)
InChIKey
XPZOKPQZEPSMFC-UHFFFAOYSA-N
Compound name
4,5-dihydro-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

86.04801 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.055286 112.7
[M+Na]+ 109.03723 123.0
[M+NH4]+ 104.08183 121.3
[M+K]+ 125.01117 120.5
[M-H]- 85.040734 115.1
[M+Na-2H]- 107.02268 118.0
[M]+ 86.047461 114.5
[M]- 86.048559 114.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe