CID 107990251

Refchem:828219

Structural Information

Molecular Formula
C9H9N3O
SMILES
CC#CC(=O)NC1=CN=C(C=C1)N
InChI
InChI=1S/C9H9N3O/c1-2-3-9(13)12-7-4-5-8(10)11-6-7/h4-6H,1H3,(H2,10,11)(H,12,13)
InChIKey
GJQFPBIWABEHMM-UHFFFAOYSA-N
Compound name
N-(6-amino-3-pyridinyl)but-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 140.8
[M+Na]+ 198.063768 149.6
[M-H]- 174.067274 140.9
[M+NH4]+ 193.108373 156.5
[M+K]+ 214.037708 146.3
[M+H-H2O]+ 158.071810 127.6
[M+HCOO]- 220.072751 158.7
[M+CH3COO]- 234.088401 191.1
[M+Na-2H]- 196.049216 145.1
[M]+ 175.07400142 132.8
[M]- 175.07509858 132.8
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.