CID 6419123

4-cyclopentene-1,3-dione, bis[(diaminomethyl)hydrazone], (1z,3e)-

Structural Information

Molecular Formula
C7H16N8
SMILES
C\1/C(=N\NC(N)N)/C=C/C1=N\NC(N)N
InChI
InChI=1S/C7H16N8/c8-6(9)14-12-4-1-2-5(3-4)13-15-7(10)11/h1-2,6-7,14-15H,3,8-11H2/b12-4-,13-5+
InChIKey
KQIQPYVUYYSJGB-JBWWEBJPSA-N
Compound name
N\""-[(Z)-[(4E)-4-(diaminomethylhydrazinylidene)cyclopent-2-en-1-ylidene]amino]methanetriamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.1498 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15708 138.4
[M+Na]+ 235.13902 140.6
[M-H]- 211.14252 142.9
[M+NH4]+ 230.18362 155.9
[M+K]+ 251.11296 140.9
[M+H-H2O]+ 195.14706 129.0
[M+HCOO]- 257.14800 169.2
[M+CH3COO]- 271.16365 210.3
[M+Na-2H]- 233.12447 141.6
[M]+ 212.14925 128.3
[M]- 212.15035 128.3
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.