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]+ 191.10398 135.8
[M+Na]+ 213.08592 144.7
[M-H]- 189.08942 137.8
[M+NH4]+ 208.13052 154.0
[M+K]+ 229.05986 140.9
[M+H-H2O]+ 173.09396 128.1
[M+HCOO]- 235.09490 161.8
[M+CH3COO]- 249.11055 148.5
[M+Na-2H]- 211.07137 142.8
[M]+ 190.09615 131.3
[M]- 190.09725 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.