CID 31447

Bupicomide

Structural Information

Molecular Formula
C10H14N2O
SMILES
CCCCC1=CN=C(C=C1)C(=O)N
InChI
InChI=1S/C10H14N2O/c1-2-3-4-8-5-6-9(10(11)13)12-7-8/h5-7H,2-4H2,1H3,(H2,11,13)
InChIKey
VKSPIPWLHGKJQO-UHFFFAOYSA-N
Compound name
5-butylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

557
Patents

178.11061 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 139.7
[M+Na]+ 201.09983 146.8
[M-H]- 177.10333 141.5
[M+NH4]+ 196.14443 158.1
[M+K]+ 217.07377 144.5
[M+H-H2O]+ 161.10787 132.8
[M+HCOO]- 223.10881 162.5
[M+CH3COO]- 237.12446 184.2
[M+Na-2H]- 199.08528 144.7
[M]+ 178.11006 139.2
[M]- 178.11116 139.2
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.