CID 9578532

Brn 0777571

Structural Information

Molecular Formula
C9H16N4
SMILES
CCCCCC/C=N/C1=NC=NN1
InChI
InChI=1S/C9H16N4/c1-2-3-4-5-6-7-10-9-11-8-12-13-9/h7-8H,2-6H2,1H3,(H,11,12,13)/b10-7+
InChIKey
FIOVOKBNWGTPRX-JXMROGBWSA-N
Compound name
(E)-N-(1H-1,2,4-triazol-5-yl)heptan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1375 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.14478 141.6
[M+Na]+ 203.12672 148.4
[M-H]- 179.13022 140.5
[M+NH4]+ 198.17132 159.0
[M+K]+ 219.10066 145.9
[M+H-H2O]+ 163.13476 132.7
[M+HCOO]- 225.13570 164.1
[M+CH3COO]- 239.15135 183.0
[M+Na-2H]- 201.11217 147.7
[M]+ 180.13695 142.2
[M]- 180.13805 142.2
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.