CID 9588119

Gyki 11653

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]+ 285.11128 165.2
[M+Na]+ 307.09322 172.2
[M-H]- 283.09672 167.5
[M+NH4]+ 302.13782 179.5
[M+K]+ 323.06716 169.5
[M+H-H2O]+ 267.10126 157.5
[M+HCOO]- 329.10220 182.4
[M+CH3COO]- 343.11785 205.4
[M+Na-2H]- 305.07867 170.4
[M]+ 284.10345 169.4
[M]- 284.10455 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.