CID 55284716

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

Structural Information

Molecular Formula
C4H8N2O
SMILES
CC1CC(=NO1)N
InChI
InChI=1S/C4H8N2O/c1-3-2-4(5)6-7-3/h3H,2H2,1H3,(H2,5,6)
InChIKey
HAVLTQQTLZIBAK-UHFFFAOYSA-N
Compound name
5-methyl-4,5-dihydro-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

100.06366 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07094 116.9
[M+Na]+ 123.05288 127.3
[M+NH4]+ 118.09748 125.3
[M+K]+ 139.02682 124.8
[M-H]- 99.056384 119.3
[M+Na-2H]- 121.03833 121.7
[M]+ 100.06311 118.8
[M]- 100.06421 118.8
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

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