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

24
Patents

100.06366 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.070936 116.7
[M+Na]+ 123.052878 124.2
[M-H]- 99.056384 119.0
[M+NH4]+ 118.097483 138.4
[M+K]+ 139.026818 124.9
[M+H-H2O]+ 83.060920 110.7
[M+HCOO]- 145.061861 140.5
[M+CH3COO]- 159.077511 165.3
[M+Na-2H]- 121.038326 124.4
[M]+ 100.06311142 114.7
[M]- 100.06420858 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