CID 29921400

Dtxsid301375550

Structural Information

Molecular Formula
C9H11N3O
SMILES
C1=CC2=C(C(=C1)O)N=C(N2)CCN
InChI
InChI=1S/C9H11N3O/c10-5-4-8-11-6-2-1-3-7(13)9(6)12-8/h1-3,13H,4-5,10H2,(H,11,12)
InChIKey
FHDGDZMBOVXTAD-UHFFFAOYSA-N
Compound name
2-(2-aminoethyl)-1H-benzimidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09021 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 135.5
[M+Na]+ 200.07943 145.5
[M-H]- 176.08293 135.2
[M+NH4]+ 195.12403 154.5
[M+K]+ 216.05337 140.8
[M+H-H2O]+ 160.08747 129.0
[M+HCOO]- 222.08841 157.3
[M+CH3COO]- 236.10406 148.4
[M+Na-2H]- 198.06488 142.5
[M]+ 177.08966 134.3
[M]- 177.09076 134.3
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.