CID 50989756

2237218-75-4

Structural Information

Molecular Formula
C4H8N2O
SMILES
C1CON=C1CN
InChI
InChI=1S/C4H8N2O/c5-3-4-1-2-7-6-4/h1-3,5H2
InChIKey
MHFBJJKCSNFJEO-UHFFFAOYSA-N
Compound name
4,5-dihydro-1,2-oxazol-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

100.06366 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07094 116.7
[M+Na]+ 123.05288 124.2
[M-H]- 99.056384 119.0
[M+NH4]+ 118.09748 138.4
[M+K]+ 139.02682 124.9
[M+H-H2O]+ 83.060920 110.7
[M+HCOO]- 145.06186 140.5
[M+CH3COO]- 159.07751 165.3
[M+Na-2H]- 121.03833 124.4
[M]+ 100.06311 114.7
[M]- 100.06421 114.7
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