CID 129935601

5,6,7,8-tetrahydrophthalazine-1,4-diamine

Structural Information

Molecular Formula
C8H12N4
SMILES
C1CCC2=C(C1)C(=NN=C2N)N
InChI
InChI=1S/C8H12N4/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H2,(H2,9,11)(H2,10,12)
InChIKey
VVJWUZRTDPKRJX-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydrophthalazine-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.1062 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.11348 133.9
[M+Na]+ 187.09542 141.6
[M-H]- 163.09892 134.8
[M+NH4]+ 182.14002 152.1
[M+K]+ 203.06936 138.3
[M+H-H2O]+ 147.10346 126.5
[M+HCOO]- 209.10440 154.1
[M+CH3COO]- 223.12005 146.0
[M+Na-2H]- 185.08087 141.4
[M]+ 164.10565 127.9
[M]- 164.10675 127.9
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

No patent data available for this compound.