CID 135742022

1h-imidazole-2-carboximidamide dihydrochloride

Structural Information

Molecular Formula
C4H6N4
SMILES
C1=CN=C(N1)C(=N)N
InChI
InChI=1S/C4H6N4/c5-3(6)4-7-1-2-8-4/h1-2H,(H3,5,6)(H,7,8)
InChIKey
QWASYWCALRURNQ-UHFFFAOYSA-N
Compound name
1H-imidazole-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
Patents

110.05925 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.066526 119.6
[M+Na]+ 133.048468 126.9
[M-H]- 109.051974 119.1
[M+NH4]+ 128.093073 139.6
[M+K]+ 149.022408 124.8
[M+H-H2O]+ 93.056510 112.5
[M+HCOO]- 155.057451 143.0
[M+CH3COO]- 169.073101 168.1
[M+Na-2H]- 131.033916 126.1
[M]+ 110.05870142 113.6
[M]- 110.05979858 113.6
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