CID 9588115

Gyki 11633

Structural Information

Molecular Formula
C12H17ClN4O2
SMILES
CCOC(=O)CCC/C(=N/NC1=NN=C(C=C1)Cl)/C
InChI
InChI=1S/C12H17ClN4O2/c1-3-19-12(18)6-4-5-9(2)14-16-11-8-7-10(13)15-17-11/h7-8H,3-6H2,1-2H3,(H,16,17)/b14-9+
InChIKey
FNRBKDZTXCZGOE-NTEUORMPSA-N
Compound name
ethyl (5E)-5-[(6-chloropyridazin-3-yl)hydrazinylidene]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.104 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11128 164.4
[M+Na]+ 307.09322 170.9
[M-H]- 283.09672 166.2
[M+NH4]+ 302.13782 178.4
[M+K]+ 323.06716 167.7
[M+H-H2O]+ 267.10126 155.9
[M+HCOO]- 329.10220 183.2
[M+CH3COO]- 343.11785 205.7
[M+Na-2H]- 305.07867 168.8
[M]+ 284.10345 169.2
[M]- 284.10455 169.2
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.