CID 248186

1-(1-aziridinyl)phthalazine

Structural Information

Molecular Formula
C10H9N3
SMILES
C1CN1C2=NN=CC3=CC=CC=C32
InChI
InChI=1S/C10H9N3/c1-2-4-9-8(3-1)7-11-12-10(9)13-5-6-13/h1-4,7H,5-6H2
InChIKey
YWSPSSISMZSFLU-UHFFFAOYSA-N
Compound name
1-(aziridin-1-yl)phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.07965 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.086926 145.9
[M+Na]+ 194.068868 157.3
[M-H]- 170.072374 150.0
[M+NH4]+ 189.113473 158.3
[M+K]+ 210.042808 152.3
[M+H-H2O]+ 154.076910 136.6
[M+HCOO]- 216.077851 166.6
[M+CH3COO]- 230.093501 158.1
[M+Na-2H]- 192.054316 155.2
[M]+ 171.07910142 147.3
[M]- 171.08019858 147.3
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

No patent data available for this compound.