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
1
Annotation Hits

0
References

576
Patents

225.18411 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.19139 158.9
[M+Na]+ 248.17333 165.7
[M-H]- 224.17683 162.0
[M+NH4]+ 243.21793 176.3
[M+K]+ 264.14727 167.2
[M+H-H2O]+ 208.18137 147.2
[M+HCOO]- 270.18231 177.9
[M+CH3COO]- 284.19796 212.7
[M+Na-2H]- 246.15878 165.6
[M]+ 225.18356 158.0
[M]- 225.18466 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