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]+ 165.113476 133.9
[M+Na]+ 187.095418 141.6
[M-H]- 163.098924 134.8
[M+NH4]+ 182.140023 152.1
[M+K]+ 203.069358 138.3
[M+H-H2O]+ 147.103460 126.5
[M+HCOO]- 209.104401 154.1
[M+CH3COO]- 223.120051 146.0
[M+Na-2H]- 185.080866 141.4
[M]+ 164.10565142 127.9
[M]- 164.10674858 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.