CID 84109947

6-(oxan-4-yl)pyridazin-3-amine

Structural Information

Molecular Formula
C9H13N3O
SMILES
C1COCCC1C2=NN=C(C=C2)N
InChI
InChI=1S/C9H13N3O/c10-9-2-1-8(11-12-9)7-3-5-13-6-4-7/h1-2,7H,3-6H2,(H2,10,12)
InChIKey
DJPYUGXYKUNUMJ-UHFFFAOYSA-N
Compound name
6-(oxan-4-yl)pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

179.10587 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.113146 139.1
[M+Na]+ 202.095088 145.0
[M-H]- 178.098594 142.6
[M+NH4]+ 197.139693 154.2
[M+K]+ 218.069028 143.6
[M+H-H2O]+ 162.103130 130.4
[M+HCOO]- 224.104071 157.9
[M+CH3COO]- 238.119721 150.8
[M+Na-2H]- 200.080536 146.2
[M]+ 179.10532142 133.9
[M]- 179.10641858 133.9
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