CID 24843815

102504-61-0

Structural Information

Molecular Formula
C12H14N2
SMILES
C1CC2C=CC1C(C2C#N)CCC#N
InChI
InChI=1S/C12H14N2/c13-7-1-2-11-9-3-5-10(6-4-9)12(11)8-14/h3,5,9-12H,1-2,4,6H2
InChIKey
JQEUJLFUKUBHES-UHFFFAOYSA-N
Compound name
3-(2-cyanoethyl)bicyclo[2.2.2]oct-5-ene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.11569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 155.5
[M+Na]+ 209.10491 165.9
[M-H]- 185.10841 156.1
[M+NH4]+ 204.14951 172.2
[M+K]+ 225.07885 155.3
[M+H-H2O]+ 169.11295 143.4
[M+HCOO]- 231.11389 162.0
[M+CH3COO]- 245.12954 162.4
[M+Na-2H]- 207.09036 161.3
[M]+ 186.11514 149.4
[M]- 186.11624 149.4
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.