CID 57473

3-cyclohexenylmethylenemalononitrile

Structural Information

Molecular Formula
C10H10N2
SMILES
C1CC(CC=C1)C=C(C#N)C#N
InChI
InChI=1S/C10H10N2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-2,6,9H,3-5H2
InChIKey
CGYHLQRLSQLPSX-UHFFFAOYSA-N
Compound name
2-(cyclohex-3-en-1-ylmethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0844 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09168 149.3
[M+Na]+ 181.07362 157.9
[M-H]- 157.07712 152.6
[M+NH4]+ 176.11822 162.9
[M+K]+ 197.04756 153.6
[M+H-H2O]+ 141.08166 134.6
[M+HCOO]- 203.08260 160.3
[M+CH3COO]- 217.09825 211.4
[M+Na-2H]- 179.05907 151.2
[M]+ 158.08385 138.7
[M]- 158.08495 138.7
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