CID 9576646

Nicotinaldehyde semicarbazone

Structural Information

Molecular Formula
C7H8N4O
SMILES
C1=CC(=CN=C1)/C=N/NC(=O)N
InChI
InChI=1S/C7H8N4O/c8-7(12)11-10-5-6-2-1-3-9-4-6/h1-5H,(H3,8,11,12)/b10-5+
InChIKey
HQOXNAZTHRZSNQ-BJMVGYQFSA-N
Compound name
[(E)-pyridin-3-ylmethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06981 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.077086 131.9
[M+Na]+ 187.059028 138.4
[M-H]- 163.062534 135.2
[M+NH4]+ 182.103633 150.5
[M+K]+ 203.032968 137.1
[M+H-H2O]+ 147.067070 124.2
[M+HCOO]- 209.068011 159.5
[M+CH3COO]- 223.083661 184.4
[M+Na-2H]- 185.044476 140.5
[M]+ 164.06926142 129.4
[M]- 164.07035858 129.4
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

No patent data available for this compound.