CID 17906937

345582-90-3

Structural Information

Molecular Formula
C8H10ClN3O
SMILES
CC(C)NC(=O)C1=NN=C(C=C1)Cl
InChI
InChI=1S/C8H10ClN3O/c1-5(2)10-8(13)6-3-4-7(9)12-11-6/h3-5H,1-2H3,(H,10,13)
InChIKey
JGUWMBLELLRUNP-UHFFFAOYSA-N
Compound name
6-chloro-N-propan-2-ylpyridazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

199.05124 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05852 140.2
[M+Na]+ 222.04046 148.7
[M-H]- 198.04396 141.3
[M+NH4]+ 217.08506 157.4
[M+K]+ 238.01440 145.6
[M+H-H2O]+ 182.04850 133.4
[M+HCOO]- 244.04944 157.4
[M+CH3COO]- 258.06509 185.6
[M+Na-2H]- 220.02591 145.8
[M]+ 199.05069 141.7
[M]- 199.05179 141.7
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