CID 6401334

4-methylphthalazin-1-amine

Structural Information

Molecular Formula
C9H9N3
SMILES
CC1=NN=C(C2=CC=CC=C12)N
InChI
InChI=1S/C9H9N3/c1-6-7-4-2-3-5-8(7)9(10)12-11-6/h2-5H,1H3,(H2,10,12)
InChIKey
AQHQGNYQXCIWDG-UHFFFAOYSA-N
Compound name
4-methylphthalazin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

159.07965 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.08693 131.3
[M+Na]+ 182.06887 146.1
[M+NH4]+ 177.11347 140.6
[M+K]+ 198.04281 138.9
[M-H]- 158.07237 134.4
[M+Na-2H]- 180.05432 139.6
[M]+ 159.07910 134.3
[M]- 159.08020 134.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe