CID 101435

Cyclohexane-1,4-dicarbonitrile

Structural Information

Molecular Formula
C8H10N2
SMILES
C1CC(CCC1C#N)C#N
InChI
InChI=1S/C8H10N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-4H2
InChIKey
MGWYSXZGBRHJNE-UHFFFAOYSA-N
Compound name
cyclohexane-1,4-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1229
Patents

134.0844 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.09168 139.8
[M+Na]+ 157.07362 148.8
[M-H]- 133.07712 143.5
[M+NH4]+ 152.11822 154.4
[M+K]+ 173.04756 145.4
[M+H-H2O]+ 117.08166 125.7
[M+HCOO]- 179.08260 151.0
[M+CH3COO]- 193.09825 208.9
[M+Na-2H]- 155.05907 142.7
[M]+ 134.08385 129.2
[M]- 134.08495 129.2
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