CID 45078280

879658-18-1

Structural Information

Molecular Formula
C8H9N3O
SMILES
CN1C2=C(C=CC(=C2)N)NC1=O
InChI
InChI=1S/C8H9N3O/c1-11-7-4-5(9)2-3-6(7)10-8(11)12/h2-4H,9H2,1H3,(H,10,12)
InChIKey
XVUHURUPLDWHPL-UHFFFAOYSA-N
Compound name
5-amino-3-methyl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

163.07455 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 130.5
[M+Na]+ 186.06377 142.6
[M-H]- 162.06727 132.1
[M+NH4]+ 181.10837 151.1
[M+K]+ 202.03771 138.4
[M+H-H2O]+ 146.07181 124.2
[M+HCOO]- 208.07275 154.2
[M+CH3COO]- 222.08840 144.9
[M+Na-2H]- 184.04922 137.6
[M]+ 163.07400 130.5
[M]- 163.07510 130.5
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