CID 74978

2094-98-6

Structural Information

Molecular Formula
C14H20N4
SMILES
C1CCC(CC1)(C#N)N=NC2(CCCCC2)C#N
InChI
InChI=1S/C14H20N4/c15-11-13(7-3-1-4-8-13)17-18-14(12-16)9-5-2-6-10-14/h1-10H2
InChIKey
KYIKRXIYLAGAKQ-UHFFFAOYSA-N
Compound name
1-[(1-cyanocyclohexyl)diazenyl]cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

10
References

61028
Patents

244.1688 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.17608 164.7
[M+Na]+ 267.15802 172.6
[M-H]- 243.16152 170.6
[M+NH4]+ 262.20262 178.7
[M+K]+ 283.13196 165.3
[M+H-H2O]+ 227.16606 149.3
[M+HCOO]- 289.16700 175.8
[M+CH3COO]- 303.18265 225.8
[M+Na-2H]- 265.14347 167.4
[M]+ 244.16825 152.2
[M]- 244.16935 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe