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

0
Patents

163.07455 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 131.0
[M+Na]+ 186.063768 141.5
[M-H]- 162.067274 130.8
[M+NH4]+ 181.108373 150.5
[M+K]+ 202.037708 137.0
[M+H-H2O]+ 146.071810 124.6
[M+HCOO]- 208.072751 153.1
[M+CH3COO]- 222.088401 144.3
[M+Na-2H]- 184.049216 138.5
[M]+ 163.07400142 129.4
[M]- 163.07509858 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