CID 9588119

Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester

Structural Information

Molecular Formula
C12H17ClN4O2
SMILES
C/C(=N\NC1=NN=C(C=C1)Cl)/CC(=O)OC(C)(C)C
InChI
InChI=1S/C12H17ClN4O2/c1-8(7-11(18)19-12(2,3)4)14-16-10-6-5-9(13)15-17-10/h5-6H,7H2,1-4H3,(H,16,17)/b14-8+
InChIKey
PIFRYIWGSWDUDE-RIYZIHGNSA-N
Compound name
tert-butyl (3E)-3-[(6-chloropyridazin-3-yl)hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.104 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.111276 165.2
[M+Na]+ 307.093218 172.2
[M-H]- 283.096724 167.5
[M+NH4]+ 302.137823 179.5
[M+K]+ 323.067158 169.5
[M+H-H2O]+ 267.101260 157.5
[M+HCOO]- 329.102201 182.4
[M+CH3COO]- 343.117851 205.4
[M+Na-2H]- 305.078666 170.4
[M]+ 284.10345142 169.4
[M]- 284.10454858 169.4
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

No patent data available for this compound.