CID 1478409

2-hydrazinylpyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C5H5N5
SMILES
C1=C(C=NC(=N1)NN)C#N
InChI
InChI=1S/C5H5N5/c6-1-4-2-8-5(10-7)9-3-4/h2-3H,7H2,(H,8,9,10)
InChIKey
ZMPBWIQKNOTOTR-UHFFFAOYSA-N
Compound name
2-hydrazinylpyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

11
Patents

135.05449 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.06177 125.3
[M+Na]+ 158.04371 134.6
[M-H]- 134.04721 125.3
[M+NH4]+ 153.08831 141.3
[M+K]+ 174.01765 133.0
[M+H-H2O]+ 118.05175 111.0
[M+HCOO]- 180.05269 145.7
[M+CH3COO]- 194.06834 188.9
[M+Na-2H]- 156.02916 133.7
[M]+ 135.05394 117.4
[M]- 135.05504 117.4
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