CID 2113258

113513-30-7

Structural Information

Molecular Formula
C8H13N5
SMILES
CNCCCC1=C(C(=NN1)N)C#N
InChI
InChI=1S/C8H13N5/c1-11-4-2-3-7-6(5-9)8(10)13-12-7/h11H,2-4H2,1H3,(H3,10,12,13)
InChIKey
FJYUWIMEBHUCPT-UHFFFAOYSA-N
Compound name
3-amino-5-[3-(methylamino)propyl]-1H-pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

179.1171 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.12438 138.2
[M+Na]+ 202.10632 146.6
[M-H]- 178.10982 136.9
[M+NH4]+ 197.15092 153.9
[M+K]+ 218.08026 144.0
[M+H-H2O]+ 162.11436 123.7
[M+HCOO]- 224.11530 157.1
[M+CH3COO]- 238.13095 196.0
[M+Na-2H]- 200.09177 142.0
[M]+ 179.11655 130.6
[M]- 179.11765 130.6
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

No patent data available for this compound.