CID 55289600

2361635-64-3

Structural Information

Molecular Formula
C5H5N
SMILES
C#CC#CCN
InChI
InChI=1S/C5H5N/c1-2-3-4-5-6/h1H,5-6H2
InChIKey
HBHNOOGQTIDKQX-UHFFFAOYSA-N
Compound name
penta-2,4-diyn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

79.0422 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 80.049476 131.5
[M+Na]+ 102.031418 141.3
[M-H]- 78.034924 132.4
[M+NH4]+ 97.076023 147.0
[M+K]+ 118.005358 139.0
[M+H-H2O]+ 62.039460 118.7
[M+HCOO]- 124.040401 142.3
[M+CH3COO]- 138.056051 197.4
[M+Na-2H]- 100.016866 134.7
[M]+ 79.04165142 121.9
[M]- 79.04274858 121.9
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

patents stripe