CID 198724

Guanidine, 5-amino-1h-benzimidazol-2-yl-, hydrochloride, hydrate (2:4:1)

Structural Information

Molecular Formula
C8H10N6
SMILES
C1=CC2=C(C=C1N)NC(=N2)N=C(N)N
InChI
InChI=1S/C8H10N6/c9-4-1-2-5-6(3-4)13-8(12-5)14-7(10)11/h1-3H,9H2,(H5,10,11,12,13,14)
InChIKey
RICLBVAADPYBJV-UHFFFAOYSA-N
Compound name
2-(6-amino-1H-benzimidazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0967 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.103976 135.8
[M+Na]+ 213.085918 144.7
[M-H]- 189.089424 137.8
[M+NH4]+ 208.130523 154.0
[M+K]+ 229.059858 140.9
[M+H-H2O]+ 173.093960 128.1
[M+HCOO]- 235.094901 161.8
[M+CH3COO]- 249.110551 148.5
[M+Na-2H]- 211.071366 142.8
[M]+ 190.09615142 131.3
[M]- 190.09724858 131.3
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.