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

58
Patents

192.06473 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.072006 137.4
[M+Na]+ 215.053948 144.7
[M-H]- 191.057454 142.7
[M+NH4]+ 210.098553 155.6
[M+K]+ 231.027888 139.6
[M+H-H2O]+ 175.061990 134.2
[M+HCOO]- 237.062931 167.5
[M+CH3COO]- 251.078581 185.2
[M+Na-2H]- 213.039396 148.1
[M]+ 192.06418142 137.1
[M]- 192.06527858 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