CID 91931

Einecs 259-899-5

Structural Information

Molecular Formula
C11H21N3
SMILES
CC(C)CC(C)(C#N)N=NC(C)(C)C
InChI
InChI=1S/C11H21N3/c1-9(2)7-11(6,8-12)14-13-10(3,4)5/h9H,7H2,1-6H3
InChIKey
HSMAVZYQDXUJLK-UHFFFAOYSA-N
Compound name
2-(tert-butyldiazenyl)-2,4-dimethylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

553
Patents

195.17355 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.18083 151.4
[M+Na]+ 218.16277 158.2
[M-H]- 194.16627 154.4
[M+NH4]+ 213.20737 169.8
[M+K]+ 234.13671 159.3
[M+H-H2O]+ 178.17081 139.5
[M+HCOO]- 240.17175 171.0
[M+CH3COO]- 254.18740 208.5
[M+Na-2H]- 216.14822 156.6
[M]+ 195.17300 148.8
[M]- 195.17410 148.8
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