CID 55285532

1-oxazol-4-yl-cyclopropylamine

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1CC1(C2=COC=N2)N
InChI
InChI=1S/C6H8N2O/c7-6(1-2-6)5-3-9-4-8-5/h3-4H,1-2,7H2
InChIKey
WNVGHPMPARPTKY-UHFFFAOYSA-N
Compound name
1-(1,3-oxazol-4-yl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

124.06366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 122.4
[M+Na]+ 147.05288 132.9
[M-H]- 123.05638 129.4
[M+NH4]+ 142.09748 140.2
[M+K]+ 163.02682 132.4
[M+H-H2O]+ 107.06092 116.6
[M+HCOO]- 169.06186 146.9
[M+CH3COO]- 183.07751 137.2
[M+Na-2H]- 145.03833 131.4
[M]+ 124.06311 124.3
[M]- 124.06421 124.3
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