CID 5399343

Nsc211438

Structural Information

Molecular Formula
C10H13N3O
SMILES
CC/C(=N\NC(=O)C1=CN=CC=C1)/C
InChI
InChI=1S/C10H13N3O/c1-3-8(2)12-13-10(14)9-5-4-6-11-7-9/h4-7H,3H2,1-2H3,(H,13,14)/b12-8-
InChIKey
DNNLTFWCJZMTMC-WQLSENKSSA-N
Compound name
N-[(Z)-butan-2-ylideneamino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.10587 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 142.6
[M+Na]+ 214.09509 148.5
[M-H]- 190.09859 146.1
[M+NH4]+ 209.13969 160.7
[M+K]+ 230.06903 147.3
[M+H-H2O]+ 174.10313 134.9
[M+HCOO]- 236.10407 167.8
[M+CH3COO]- 250.11972 190.0
[M+Na-2H]- 212.08054 149.0
[M]+ 191.10532 142.4
[M]- 191.10642 142.4
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

No patent data available for this compound.