CID 6410659

Sr 95086

Structural Information

Molecular Formula
C12H14N4
SMILES
C1=CC=C(C=C1)C2=CC(=NN=C2)NCCN
InChI
InChI=1S/C12H14N4/c13-6-7-14-12-8-11(9-15-16-12)10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2,(H,14,16)
InChIKey
GPKVJJPXKDVZAH-UHFFFAOYSA-N
Compound name
N'-(5-phenylpyridazin-3-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12184 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12912 146.9
[M+Na]+ 237.11106 153.8
[M-H]- 213.11456 150.4
[M+NH4]+ 232.15566 161.8
[M+K]+ 253.08500 149.3
[M+H-H2O]+ 197.11910 137.7
[M+HCOO]- 259.12004 170.9
[M+CH3COO]- 273.13569 158.6
[M+Na-2H]- 235.09651 155.6
[M]+ 214.12129 144.4
[M]- 214.12239 144.4
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.