CID 18376830

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

Structural Information

Molecular Formula
C4H8N2O
SMILES
CC1COC(=N1)N
InChI
InChI=1S/C4H8N2O/c1-3-2-7-4(5)6-3/h3H,2H2,1H3,(H2,5,6)
InChIKey
PIXPFRMNXPKTFS-UHFFFAOYSA-N
Compound name
4-methyl-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

100.06366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07094 116.7
[M+Na]+ 123.05288 125.2
[M-H]- 99.056384 119.4
[M+NH4]+ 118.09748 138.7
[M+K]+ 139.02682 125.9
[M+H-H2O]+ 83.060920 111.0
[M+HCOO]- 145.06186 140.5
[M+CH3COO]- 159.07751 166.4
[M+Na-2H]- 121.03833 123.7
[M]+ 100.06311 115.1
[M]- 100.06421 115.1
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