CID 14202141

3,5-diamino-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C4H5N5
SMILES
C(#N)C1=C(NN=C1N)N
InChI
InChI=1S/C4H5N5/c5-1-2-3(6)8-9-4(2)7/h(H5,6,7,8,9)
InChIKey
UKASYLSHAZSEEV-UHFFFAOYSA-N
Compound name
3,5-diamino-1H-pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

123.0545 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.06178 123.6
[M+Na]+ 146.04372 133.6
[M-H]- 122.04722 122.5
[M+NH4]+ 141.08832 141.0
[M+K]+ 162.01766 131.5
[M+H-H2O]+ 106.05176 109.8
[M+HCOO]- 168.05270 143.0
[M+CH3COO]- 182.06835 184.6
[M+Na-2H]- 144.02917 128.2
[M]+ 123.05395 113.8
[M]- 123.05505 113.8
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