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

16
Patents

124.06366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 122.4
[M+Na]+ 147.052878 132.9
[M-H]- 123.056384 129.4
[M+NH4]+ 142.097483 140.2
[M+K]+ 163.026818 132.4
[M+H-H2O]+ 107.060920 116.6
[M+HCOO]- 169.061861 146.9
[M+CH3COO]- 183.077511 137.2
[M+Na-2H]- 145.038326 131.4
[M]+ 124.06311142 124.3
[M]- 124.06420858 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