CID 264244

2,7-dimethyl-2,7-octanedicarbonitrile

Structural Information

Molecular Formula
C12H20N2
SMILES
CC(C)(CCCCC(C)(C)C#N)C#N
InChI
InChI=1S/C12H20N2/c1-11(2,9-13)7-5-6-8-12(3,4)10-14/h5-8H2,1-4H3
InChIKey
MZLDHJUKJGFOQQ-UHFFFAOYSA-N
Compound name
2,2,7,7-tetramethyloctanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.16264 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.169916 159.9
[M+Na]+ 215.151858 167.6
[M-H]- 191.155364 162.2
[M+NH4]+ 210.196463 173.1
[M+K]+ 231.125798 166.6
[M+H-H2O]+ 175.159900 146.0
[M+HCOO]- 237.160841 169.8
[M+CH3COO]- 251.176491 219.0
[M+Na-2H]- 213.137306 162.1
[M]+ 192.16209142 153.5
[M]- 192.16318858 153.5
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

No patent data available for this compound.