CID 20365

2-cyclohexylidenemalononitrile

Structural Information

Molecular Formula
C9H10N2
SMILES
C1CCC(=C(C#N)C#N)CC1
InChI
InChI=1S/C9H10N2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5H2
InChIKey
LFIASOWXJLMZNB-UHFFFAOYSA-N
Compound name
2-cyclohexylidenepropanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

42
Patents

146.0844 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 146.1
[M+Na]+ 169.07362 154.4
[M-H]- 145.07712 149.5
[M+NH4]+ 164.11822 160.0
[M+K]+ 185.04756 150.3
[M+H-H2O]+ 129.08166 131.6
[M+HCOO]- 191.08260 156.4
[M+CH3COO]- 205.09825 209.7
[M+Na-2H]- 167.05907 147.9
[M]+ 146.08385 134.5
[M]- 146.08495 134.5
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