CID 15563710

2-(azidomethyl)-1h-benzo[d]imidazole

Structural Information

Molecular Formula
C8H7N5
SMILES
C1=CC=C2C(=C1)NC(=N2)CN=[N+]=[N-]
InChI
InChI=1S/C8H7N5/c9-13-10-5-8-11-6-3-1-2-4-7(6)12-8/h1-4H,5H2,(H,11,12)
InChIKey
APIBGQDLQSXNOW-UHFFFAOYSA-N
Compound name
2-(azidomethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

173.07014 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07742 129.2
[M+Na]+ 196.05936 138.3
[M-H]- 172.06286 133.2
[M+NH4]+ 191.10396 149.2
[M+K]+ 212.03330 130.5
[M+H-H2O]+ 156.06740 125.8
[M+HCOO]- 218.06834 159.0
[M+CH3COO]- 232.08399 179.3
[M+Na-2H]- 194.04481 143.0
[M]+ 173.06959 127.2
[M]- 173.07069 127.2
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