CID 9588127

Gyki 11741

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CC1=NN=C(C=C1)N/N=C(\C)/CC(=O)OC(C)(C)C
InChI
InChI=1S/C13H20N4O2/c1-9-6-7-11(16-14-9)17-15-10(2)8-12(18)19-13(3,4)5/h6-7H,8H2,1-5H3,(H,16,17)/b15-10+
InChIKey
TWJIVZPKDMZUFW-XNTDXEJSSA-N
Compound name
tert-butyl (3E)-3-[(6-methylpyridazin-3-yl)hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.15863 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16591 163.7
[M+Na]+ 287.14785 169.7
[M-H]- 263.15135 166.0
[M+NH4]+ 282.19245 177.9
[M+K]+ 303.12179 168.6
[M+H-H2O]+ 247.15589 155.3
[M+HCOO]- 309.15683 185.2
[M+CH3COO]- 323.17248 204.7
[M+Na-2H]- 285.13330 168.9
[M]+ 264.15808 166.3
[M]- 264.15918 166.3
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.