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]+ 164.08183 130.5
[M+Na]+ 186.06377 141.5
[M-H]- 162.06727 131.8
[M+NH4]+ 181.10837 150.8
[M+K]+ 202.03771 137.9
[M+H-H2O]+ 146.07181 123.9
[M+HCOO]- 208.07275 154.2
[M+CH3COO]- 222.08840 144.6
[M+Na-2H]- 184.04922 138.5
[M]+ 163.07400 130.9
[M]- 163.07510 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