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

1030
Patents

207.17355 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.18083 150.3
[M+Na]+ 230.16277 156.8
[M-H]- 206.16627 155.2
[M+NH4]+ 225.20737 169.7
[M+K]+ 246.13671 154.8
[M+H-H2O]+ 190.17081 138.1
[M+HCOO]- 252.17175 169.7
[M+CH3COO]- 266.18740 206.9
[M+Na-2H]- 228.14822 156.7
[M]+ 207.17300 143.5
[M]- 207.17410 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