CID 82593852

1-{1h-[1,3]diazolo[1,2-a]imidazol-2-yl}methanamine dihydrochloride

Structural Information

Molecular Formula
C6H8N4
SMILES
C1=CN2C=C(NC2=N1)CN
InChI
InChI=1S/C6H8N4/c7-3-5-4-10-2-1-8-6(10)9-5/h1-2,4H,3,7H2,(H,8,9)
InChIKey
PMWJVFAKVOJPCK-UHFFFAOYSA-N
Compound name
7H-imidazo[1,2-a]imidazol-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.07489 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.082166 124.1
[M+Na]+ 159.064108 134.8
[M-H]- 135.067614 124.0
[M+NH4]+ 154.108713 145.5
[M+K]+ 175.038048 131.8
[M+H-H2O]+ 119.072150 116.9
[M+HCOO]- 181.073091 147.6
[M+CH3COO]- 195.088741 138.1
[M+Na-2H]- 157.049556 131.0
[M]+ 136.07434142 123.2
[M]- 136.07543858 123.2
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

No patent data available for this compound.