CID 131704490

1612756-29-2

Structural Information

Molecular Formula
C10H8N6O
SMILES
C1=CC(=C(N=C1)CN=[N+]=[N-])C(=O)N2C=CN=C2
InChI
InChI=1S/C10H8N6O/c11-15-14-6-9-8(2-1-3-13-9)10(17)16-5-4-12-7-16/h1-5,7H,6H2
InChIKey
QPSQVTFTPHUCEH-UHFFFAOYSA-N
Compound name
[2-(azidomethyl)pyridin-3-yl]-imidazol-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

228.07596 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08324 146.5
[M+Na]+ 251.06518 153.8
[M-H]- 227.06868 152.4
[M+NH4]+ 246.10978 161.8
[M+K]+ 267.03912 146.7
[M+H-H2O]+ 211.07322 140.6
[M+HCOO]- 273.07416 175.2
[M+CH3COO]- 287.08981 190.5
[M+Na-2H]- 249.05063 157.1
[M]+ 228.07541 144.5
[M]- 228.07651 144.5
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

patents stripe