CID 3053976

Brn 0800643

Structural Information

Molecular Formula
C12H18N6
SMILES
CC1=C(C(=NN1C2=NN=C(C=C2)NN)C)C(C)C
InChI
InChI=1S/C12H18N6/c1-7(2)12-8(3)17-18(9(12)4)11-6-5-10(14-13)15-16-11/h5-7H,13H2,1-4H3,(H,14,15)
InChIKey
MOWPADJNBVZBIQ-UHFFFAOYSA-N
Compound name
[6-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

246.1593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16658 159.5
[M+Na]+ 269.14852 168.8
[M-H]- 245.15202 161.9
[M+NH4]+ 264.19312 173.1
[M+K]+ 285.12246 164.7
[M+H-H2O]+ 229.15656 149.9
[M+HCOO]- 291.15750 180.5
[M+CH3COO]- 305.17315 201.8
[M+Na-2H]- 267.13397 161.9
[M]+ 246.15875 159.4
[M]- 246.15985 159.4
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

patents stripe