CID 136028797

2613381-80-7

Structural Information

Molecular Formula
C6H9N5
SMILES
CC1=NN(C2=NNC(=C12)N)C
InChI
InChI=1S/C6H9N5/c1-3-4-5(7)8-9-6(4)11(2)10-3/h1-2H3,(H3,7,8,9)
InChIKey
JDJBPZXPGDWTAU-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.0858 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.09308 130.2
[M+Na]+ 174.07502 142.8
[M-H]- 150.07852 129.6
[M+NH4]+ 169.11962 150.3
[M+K]+ 190.04896 139.5
[M+H-H2O]+ 134.08306 123.0
[M+HCOO]- 196.08400 152.3
[M+CH3COO]- 210.09965 144.1
[M+Na-2H]- 172.06047 135.4
[M]+ 151.08525 130.6
[M]- 151.08635 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.