CID 81432058

2-(aminomethyl)-1h-1,3-benzodiazol-5-ol dihydrochloride

Structural Information

Molecular Formula
C8H9N3O
SMILES
C1=CC2=C(C=C1O)NC(=N2)CN
InChI
InChI=1S/C8H9N3O/c9-4-8-10-6-2-1-5(12)3-7(6)11-8/h1-3,12H,4,9H2,(H,10,11)
InChIKey
IUZQNGPOILUEOU-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3H-benzimidazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

163.07455 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 131.0
[M+Na]+ 186.06377 141.5
[M-H]- 162.06727 130.8
[M+NH4]+ 181.10837 150.5
[M+K]+ 202.03771 137.0
[M+H-H2O]+ 146.07181 124.6
[M+HCOO]- 208.07275 153.1
[M+CH3COO]- 222.08840 144.3
[M+Na-2H]- 184.04922 138.5
[M]+ 163.07400 129.4
[M]- 163.07510 129.4
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

patents stripe