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
1
Annotation Hits

0
References

0
Patents

220.1688 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.17608 163.9
[M+Na]+ 243.15802 170.1
[M-H]- 219.16152 167.1
[M+NH4]+ 238.20262 176.3
[M+K]+ 259.13196 170.5
[M+H-H2O]+ 203.16606 148.4
[M+HCOO]- 265.16700 176.4
[M+CH3COO]- 279.18265 228.3
[M+Na-2H]- 241.14347 164.6
[M]+ 220.16825 157.6
[M]- 220.16935 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