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]+ 180.124376 138.2
[M+Na]+ 202.106318 146.6
[M-H]- 178.109824 136.9
[M+NH4]+ 197.150923 153.9
[M+K]+ 218.080258 144.0
[M+H-H2O]+ 162.114360 123.7
[M+HCOO]- 224.115301 157.1
[M+CH3COO]- 238.130951 196.0
[M+Na-2H]- 200.091766 142.0
[M]+ 179.11655142 130.6
[M]- 179.11764858 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.