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]+ 178.097486 135.1
[M+Na]+ 200.079428 147.0
[M-H]- 176.082934 138.0
[M+NH4]+ 195.124033 155.9
[M+K]+ 216.053368 144.0
[M+H-H2O]+ 160.087470 128.3
[M+HCOO]- 222.088411 159.9
[M+CH3COO]- 236.104061 183.5
[M+Na-2H]- 198.064876 142.3
[M]+ 177.08966142 138.0
[M]- 177.09075858 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