CID 52383

Malononitrile, (1-ethynylcyclohexyl)-

Structural Information

Molecular Formula
C11H12N2
SMILES
C1CCC(CC1)C#CC(C#N)C#N
InChI
InChI=1S/C11H12N2/c12-8-11(9-13)7-6-10-4-2-1-3-5-10/h10-11H,1-5H2
InChIKey
LIQNZIMFFGLQRN-UHFFFAOYSA-N
Compound name
2-(2-cyclohexylethynyl)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10005 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 161.7
[M+Na]+ 195.08927 169.0
[M-H]- 171.09277 165.5
[M+NH4]+ 190.13387 169.9
[M+K]+ 211.06321 164.7
[M+H-H2O]+ 155.09731 149.5
[M+HCOO]- 217.09825 165.3
[M+CH3COO]- 231.11390 230.7
[M+Na-2H]- 193.07472 160.4
[M]+ 172.09950 152.2
[M]- 172.10060 152.2
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.