CID 584119

1h-1,3-benzodiazol-4-ol

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CC2=C(C(=C1)O)N=CN2
InChI
InChI=1S/C7H6N2O/c10-6-3-1-2-5-7(6)9-4-8-5/h1-4,10H,(H,8,9)
InChIKey
DODRSIDSXPMYQJ-UHFFFAOYSA-N
Compound name
1H-benzimidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

387
Patents

134.04802 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 122.4
[M+Na]+ 157.03724 133.4
[M-H]- 133.04074 122.6
[M+NH4]+ 152.08184 143.5
[M+K]+ 173.01118 129.6
[M+H-H2O]+ 117.04528 116.4
[M+HCOO]- 179.04622 144.5
[M+CH3COO]- 193.06187 136.7
[M+Na-2H]- 155.02269 131.8
[M]+ 134.04747 121.9
[M]- 134.04857 121.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe