CID 19914

Nicotinoyl azide

Structural Information

Molecular Formula
C6H4N4O
SMILES
C1=CC(=CN=C1)C(=O)N=[N+]=[N-]
InChI
InChI=1S/C6H4N4O/c7-10-9-6(11)5-2-1-3-8-4-5/h1-4H
InChIKey
ZNSIOEUWGZNHAQ-UHFFFAOYSA-N
Compound name
pyridine-3-carbonyl azide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

402
Patents

148.03851 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.04579 124.8
[M+Na]+ 171.02773 132.1
[M-H]- 147.03123 130.1
[M+NH4]+ 166.07233 144.5
[M+K]+ 187.00167 127.1
[M+H-H2O]+ 131.03577 122.0
[M+HCOO]- 193.03671 155.4
[M+CH3COO]- 207.05236 175.9
[M+Na-2H]- 169.01318 137.2
[M]+ 148.03796 122.1
[M]- 148.03906 122.1
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