CID 107990251

N-(6-aminopyridin-3-yl)but-2-ynamide

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-aminopyridin-3-yl)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]+ 176.08183 140.8
[M+Na]+ 198.06377 149.6
[M-H]- 174.06727 140.9
[M+NH4]+ 193.10837 156.5
[M+K]+ 214.03771 146.3
[M+H-H2O]+ 158.07181 127.6
[M+HCOO]- 220.07275 158.7
[M+CH3COO]- 234.08840 191.1
[M+Na-2H]- 196.04922 145.1
[M]+ 175.07400 132.8
[M]- 175.07510 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.