CID 52987703

7-methoxy-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C8H9N3O
SMILES
COC1=CC=CC2=C1N=C(N2)N
InChI
InChI=1S/C8H9N3O/c1-12-6-4-2-3-5-7(6)11-8(9)10-5/h2-4H,1H3,(H3,9,10,11)
InChIKey
JXZONHOHNHEXOQ-UHFFFAOYSA-N
Compound name
4-methoxy-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

163.07455 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 130.5
[M+Na]+ 186.063768 141.5
[M-H]- 162.067274 131.8
[M+NH4]+ 181.108373 150.8
[M+K]+ 202.037708 137.9
[M+H-H2O]+ 146.071810 123.9
[M+HCOO]- 208.072751 154.2
[M+CH3COO]- 222.088401 144.6
[M+Na-2H]- 184.049216 138.5
[M]+ 163.07400142 130.9
[M]- 163.07509858 130.9
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