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]+ 193.16992 159.9
[M+Na]+ 215.15186 167.6
[M-H]- 191.15536 162.2
[M+NH4]+ 210.19646 173.1
[M+K]+ 231.12580 166.6
[M+H-H2O]+ 175.15990 146.0
[M+HCOO]- 237.16084 169.8
[M+CH3COO]- 251.17649 219.0
[M+Na-2H]- 213.13731 162.1
[M]+ 192.16209 153.5
[M]- 192.16319 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.