CID 85850

15457-18-8

Structural Information

Molecular Formula
C12H20N4
SMILES
CCCC(C)(C#N)N=NC(CC(C)C)C#N
InChI
InChI=1S/C12H20N4/c1-5-6-12(4,9-14)16-15-11(8-13)7-10(2)3/h10-11H,5-7H2,1-4H3
InChIKey
CVLPHLARBKIAPB-UHFFFAOYSA-N
Compound name
2-[(1-cyano-3-methylbutyl)diazenyl]-2-methylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

220.1688 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.176076 163.9
[M+Na]+ 243.158018 170.1
[M-H]- 219.161524 167.1
[M+NH4]+ 238.202623 176.3
[M+K]+ 259.131958 170.5
[M+H-H2O]+ 203.166060 148.4
[M+HCOO]- 265.167001 176.4
[M+CH3COO]- 279.182651 228.3
[M+Na-2H]- 241.143466 164.6
[M]+ 220.16825142 157.6
[M]- 220.16934858 157.6
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

patents stripe