CID 91932

55912-19-1

Structural Information

Molecular Formula
C12H21N3
SMILES
CCC(C)(C)N=NC1(CCCCC1)C#N
InChI
InChI=1S/C12H21N3/c1-4-11(2,3)14-15-12(10-13)8-6-5-7-9-12/h4-9H2,1-3H3
InChIKey
UXKQGJYFPNFUJY-UHFFFAOYSA-N
Compound name
1-(2-methylbutan-2-yldiazenyl)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1114
Patents

207.17355 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.180826 150.3
[M+Na]+ 230.162768 156.8
[M-H]- 206.166274 155.2
[M+NH4]+ 225.207373 169.7
[M+K]+ 246.136708 154.8
[M+H-H2O]+ 190.170810 138.1
[M+HCOO]- 252.171751 169.7
[M+CH3COO]- 266.187401 206.9
[M+Na-2H]- 228.148216 156.7
[M]+ 207.17300142 143.5
[M]- 207.17409858 143.5
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