CID 89733

22501-82-2

Structural Information

Molecular Formula
C10H9N3
SMILES
CC1=CC2=NC3=CC=CC=C3N2N1
InChI
InChI=1S/C10H9N3/c1-7-6-10-11-8-4-2-3-5-9(8)13(10)12-7/h2-6,12H,1H3
InChIKey
IHDHUWAQXNEVPO-UHFFFAOYSA-N
Compound name
2-methyl-1H-pyrazolo[1,5-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

171.07965 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.086926 133.3
[M+Na]+ 194.068868 146.7
[M-H]- 170.072374 135.3
[M+NH4]+ 189.113473 155.4
[M+K]+ 210.042808 141.9
[M+H-H2O]+ 154.076910 126.5
[M+HCOO]- 216.077851 156.4
[M+CH3COO]- 230.093501 148.0
[M+Na-2H]- 192.054316 141.4
[M]+ 171.07910142 136.3
[M]- 171.08019858 136.3
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