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]+ 137.08217 124.1
[M+Na]+ 159.06411 134.8
[M-H]- 135.06761 124.0
[M+NH4]+ 154.10871 145.5
[M+K]+ 175.03805 131.8
[M+H-H2O]+ 119.07215 116.9
[M+HCOO]- 181.07309 147.6
[M+CH3COO]- 195.08874 138.1
[M+Na-2H]- 157.04956 131.0
[M]+ 136.07434 123.2
[M]- 136.07544 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.