CID 49756603

120267-00-7

Structural Information

Molecular Formula
C5H9N3
SMILES
C1CN2CCN=C2N1
InChI
InChI=1S/C5H9N3/c1-3-8-4-2-7-5(8)6-1/h1-4H2,(H,6,7)
InChIKey
ROYYTESGJKJHTH-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

242
Patents

111.07965 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.086926 122.1
[M+Na]+ 134.068868 130.0
[M-H]- 110.072374 120.9
[M+NH4]+ 129.113473 144.4
[M+K]+ 150.042808 128.6
[M+H-H2O]+ 94.076910 114.8
[M+HCOO]- 156.077851 141.0
[M+CH3COO]- 170.093501 135.1
[M+Na-2H]- 132.054316 127.3
[M]+ 111.07910142 117.7
[M]- 111.08019858 117.7
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