CID 22565575

Methyl 6-(azidomethyl)nicotinate

Structural Information

Molecular Formula
C8H8N4O2
SMILES
COC(=O)C1=CN=C(C=C1)CN=[N+]=[N-]
InChI
InChI=1S/C8H8N4O2/c1-14-8(13)6-2-3-7(10-4-6)5-11-12-9/h2-4H,5H2,1H3
InChIKey
UDAQXROOFWMMQD-UHFFFAOYSA-N
Compound name
methyl 6-(azidomethyl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

192.06473 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07201 137.4
[M+Na]+ 215.05395 144.7
[M-H]- 191.05745 142.7
[M+NH4]+ 210.09855 155.6
[M+K]+ 231.02789 139.6
[M+H-H2O]+ 175.06199 134.2
[M+HCOO]- 237.06293 167.5
[M+CH3COO]- 251.07858 185.2
[M+Na-2H]- 213.03940 148.1
[M]+ 192.06418 137.1
[M]- 192.06528 137.1
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