CID 4737027

4h,5h,6h-cyclopenta[c][1,2]oxazol-3-amine

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1CC2=C(ON=C2C1)N
InChI
InChI=1S/C6H8N2O/c7-6-4-2-1-3-5(4)8-9-6/h1-3,7H2
InChIKey
WGCKCMXHIWUORN-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

124.06366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 121.2
[M+Na]+ 147.052878 130.2
[M-H]- 123.056384 125.0
[M+NH4]+ 142.097483 145.0
[M+K]+ 163.026818 130.0
[M+H-H2O]+ 107.060920 115.9
[M+HCOO]- 169.061861 145.1
[M+CH3COO]- 183.077511 136.2
[M+Na-2H]- 145.038326 127.7
[M]+ 124.06311142 120.2
[M]- 124.06420858 120.2
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