CID 68791

59643-91-3

Structural Information

Molecular Formula
C4H5N3O
SMILES
C1C2N1C(=O)N=C2N
InChI
InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)
InChIKey
BIXBBIPTYBJTRY-UHFFFAOYSA-N
Compound name
4-amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

64
References

1592
Patents

111.04326 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.05054 120.6
[M+Na]+ 134.03248 132.5
[M+NH4]+ 129.07708 129.2
[M+K]+ 150.00642 131.1
[M-H]- 110.03598 127.6
[M+Na-2H]- 132.01793 127.1
[M]+ 111.04271 125.0
[M]- 111.04381 125.0
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