CID 106759032

1702129-75-6

Structural Information

Molecular Formula
C8H11N5
SMILES
CN1C(=CC=N1)C2=C(C=NN2)CN
InChI
InChI=1S/C8H11N5/c1-13-7(2-3-11-13)8-6(4-9)5-10-12-8/h2-3,5H,4,9H2,1H3,(H,10,12)
InChIKey
LDLAJWVNKRJQFC-UHFFFAOYSA-N
Compound name
[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.10144 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.10872 135.8
[M+Na]+ 200.09066 146.4
[M-H]- 176.09416 137.0
[M+NH4]+ 195.13526 153.2
[M+K]+ 216.06460 142.7
[M+H-H2O]+ 160.09870 127.0
[M+HCOO]- 222.09964 158.8
[M+CH3COO]- 236.11529 148.9
[M+Na-2H]- 198.07611 140.2
[M]+ 177.10089 135.2
[M]- 177.10199 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.