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

1460
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

literature stripe

Patent stripe

patents stripe