CID 238663

1,3-oxazolidin-2-imine

Structural Information

Molecular Formula
C3H6N2O
SMILES
C1COC(=N1)N
InChI
InChI=1S/C3H6N2O/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)
InChIKey
YAXGBZDYGZBRBQ-UHFFFAOYSA-N
Compound name
4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

1641
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 112.0
[M+Na]+ 109.03723 119.9
[M-H]- 85.040734 114.5
[M+NH4]+ 104.08183 134.2
[M+K]+ 125.01117 121.0
[M+H-H2O]+ 69.045270 106.2
[M+HCOO]- 131.04621 136.2
[M+CH3COO]- 145.06186 162.2
[M+Na-2H]- 107.02268 120.3
[M]+ 86.047461 109.7
[M]- 86.048559 109.7
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

No patent data available for this compound.