CID 91930

Einecs 259-897-4

Structural Information

Molecular Formula
C12H23N3O
SMILES
CC(C)(C)N=NC(C)(CC(C)(C)OC)C#N
InChI
InChI=1S/C12H23N3O/c1-10(2,3)14-15-12(6,9-13)8-11(4,5)16-7/h8H2,1-7H3
InChIKey
XYDCNXPXPVLOPD-UHFFFAOYSA-N
Compound name
2-(tert-butyldiazenyl)-4-methoxy-2,4-dimethylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

730
Patents

225.18411 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.191386 158.9
[M+Na]+ 248.173328 165.7
[M-H]- 224.176834 162.0
[M+NH4]+ 243.217933 176.3
[M+K]+ 264.147268 167.2
[M+H-H2O]+ 208.181370 147.2
[M+HCOO]- 270.182311 177.9
[M+CH3COO]- 284.197961 212.7
[M+Na-2H]- 246.158776 165.6
[M]+ 225.18356142 158.0
[M]- 225.18465858 158.0
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