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

8
Patents

179.10587 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 139.1
[M+Na]+ 202.09509 145.0
[M-H]- 178.09859 142.6
[M+NH4]+ 197.13969 154.2
[M+K]+ 218.06903 143.6
[M+H-H2O]+ 162.10313 130.4
[M+HCOO]- 224.10407 157.9
[M+CH3COO]- 238.11972 150.8
[M+Na-2H]- 200.08054 146.2
[M]+ 179.10532 133.9
[M]- 179.10642 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