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

65
Patents

163.07455 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 130.5
[M+Na]+ 186.063768 142.6
[M-H]- 162.067274 132.1
[M+NH4]+ 181.108373 151.1
[M+K]+ 202.037708 138.4
[M+H-H2O]+ 146.071810 124.2
[M+HCOO]- 208.072751 154.2
[M+CH3COO]- 222.088401 144.9
[M+Na-2H]- 184.049216 137.6
[M]+ 163.07400142 130.5
[M]- 163.07509858 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