CID 164846

2-azido-1-methylbenzimidazole

Structural Information

Molecular Formula
C8H7N5
SMILES
CN1C2=CC=CC=C2N=C1N=[N+]=[N-]
InChI
InChI=1S/C8H7N5/c1-13-7-5-3-2-4-6(7)10-8(13)11-12-9/h2-5H,1H3
InChIKey
UEBPHCPFYTWTGN-UHFFFAOYSA-N
Compound name
2-azido-1-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.07014 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07742 130.3
[M+Na]+ 196.05936 140.7
[M-H]- 172.06286 136.0
[M+NH4]+ 191.10396 151.3
[M+K]+ 212.03330 133.8
[M+H-H2O]+ 156.06740 126.9
[M+HCOO]- 218.06834 161.5
[M+CH3COO]- 232.08399 183.2
[M+Na-2H]- 194.04481 143.7
[M]+ 173.06959 130.5
[M]- 173.07069 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

literature stripe

Patent stripe

No patent data available for this compound.