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]+ 200.058516 140.2
[M+Na]+ 222.040458 148.7
[M-H]- 198.043964 141.3
[M+NH4]+ 217.085063 157.4
[M+K]+ 238.014398 145.6
[M+H-H2O]+ 182.048500 133.4
[M+HCOO]- 244.049441 157.4
[M+CH3COO]- 258.065091 185.6
[M+Na-2H]- 220.025906 145.8
[M]+ 199.05069142 141.7
[M]- 199.05178858 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