CID 45078478

33235-33-5

Structural Information

Molecular Formula
C9H11N3O
SMILES
CN1C2=C(C(=CC=C2)OC)N=C1N
InChI
InChI=1S/C9H11N3O/c1-12-6-4-3-5-7(13-2)8(6)11-9(12)10/h3-5H,1-2H3,(H2,10,11)
InChIKey
RNJUSLPNRVXPPT-UHFFFAOYSA-N
Compound name
4-methoxy-1-methylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

177.09021 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 135.1
[M+Na]+ 200.07943 147.0
[M-H]- 176.08293 138.0
[M+NH4]+ 195.12403 155.9
[M+K]+ 216.05337 144.0
[M+H-H2O]+ 160.08747 128.3
[M+HCOO]- 222.08841 159.9
[M+CH3COO]- 236.10406 183.5
[M+Na-2H]- 198.06488 142.3
[M]+ 177.08966 138.0
[M]- 177.09076 138.0
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