CID 403128

Caricotamide

Structural Information

Molecular Formula
C8H11N3O2
SMILES
C1C=CN(C=C1C(=O)N)CC(=O)N
InChI
InChI=1S/C8H11N3O2/c9-7(12)5-11-3-1-2-6(4-11)8(10)13/h1,3-4H,2,5H2,(H2,9,12)(H2,10,13)
InChIKey
WEJRSYKFMCUCRQ-UHFFFAOYSA-N
Compound name
1-(2-amino-2-oxoethyl)-4H-pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

24
Patents

181.08513 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 138.5
[M+Na]+ 204.07435 144.5
[M-H]- 180.07785 139.8
[M+NH4]+ 199.11895 155.7
[M+K]+ 220.04829 142.9
[M+H-H2O]+ 164.08239 131.4
[M+HCOO]- 226.08333 160.3
[M+CH3COO]- 240.09898 185.2
[M+Na-2H]- 202.05980 141.6
[M]+ 181.08458 134.1
[M]- 181.08568 134.1
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