CID 9588127

Butyric acid, 3-(2-(6-methyl-3-pyridazinyl)hydrazinylidene)-, tert-butyl ester

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]+ 265.165906 163.7
[M+Na]+ 287.147848 169.7
[M-H]- 263.151354 166.0
[M+NH4]+ 282.192453 177.9
[M+K]+ 303.121788 168.6
[M+H-H2O]+ 247.155890 155.3
[M+HCOO]- 309.156831 185.2
[M+CH3COO]- 323.172481 204.7
[M+Na-2H]- 285.133296 168.9
[M]+ 264.15808142 166.3
[M]- 264.15917858 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.