CID 15834352

80822-82-8

Structural Information

Molecular Formula
C14H24N2
SMILES
CC(C)CC(C)(C#N)C(C)(CC(C)C)C#N
InChI
InChI=1S/C14H24N2/c1-11(2)7-13(5,9-15)14(6,10-16)8-12(3)4/h11-12H,7-8H2,1-6H3
InChIKey
ZSQZMKLXZYSHCK-UHFFFAOYSA-N
Compound name
2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

596
Patents

220.19395 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.20123 167.4
[M+Na]+ 243.18317 174.2
[M-H]- 219.18667 169.5
[M+NH4]+ 238.22777 179.7
[M+K]+ 259.15711 173.4
[M+H-H2O]+ 203.19121 153.3
[M+HCOO]- 265.19215 175.6
[M+CH3COO]- 279.20780 223.8
[M+Na-2H]- 241.16862 167.1
[M]+ 220.19340 160.5
[M]- 220.19450 160.5
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