CID 9578458

Gyki 11473

Structural Information

Molecular Formula
C10H13ClN4O2
SMILES
CCOC(=O)C/C(=N/NC1=NN=C(C=C1)Cl)/C
InChI
InChI=1S/C10H13ClN4O2/c1-3-17-10(16)6-7(2)12-14-9-5-4-8(11)13-15-9/h4-5H,3,6H2,1-2H3,(H,14,15)/b12-7+
InChIKey
AFNIBVUJKINNKD-KPKJPENVSA-N
Compound name
ethyl (3E)-3-[(6-chloropyridazin-3-yl)hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.0727 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07998 155.3
[M+Na]+ 279.06192 162.7
[M-H]- 255.06542 157.5
[M+NH4]+ 274.10652 170.5
[M+K]+ 295.03586 160.0
[M+H-H2O]+ 239.06996 147.3
[M+HCOO]- 301.07090 174.8
[M+CH3COO]- 315.08655 199.7
[M+Na-2H]- 277.04737 160.7
[M]+ 256.07215 159.4
[M]- 256.07325 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