CID 26982

Bicyclo[2.2.2]oct-2-ene-2-carbonitrile

Structural Information

Molecular Formula
C9H11N
SMILES
C1CC2CCC1C=C2C#N
InChI
InChI=1S/C9H11N/c10-6-9-5-7-1-3-8(9)4-2-7/h5,7-8H,1-4H2
InChIKey
ZTMRDYCYTDGUEY-UHFFFAOYSA-N
Compound name
bicyclo[2.2.2]oct-2-ene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

133.08914 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.096416 129.5
[M+Na]+ 156.078358 138.6
[M-H]- 132.081864 128.0
[M+NH4]+ 151.122963 153.7
[M+K]+ 172.052298 131.4
[M+H-H2O]+ 116.086400 120.1
[M+HCOO]- 178.087341 141.2
[M+CH3COO]- 192.102991 140.7
[M+Na-2H]- 154.063806 141.1
[M]+ 133.08859142 125.5
[M]- 133.08968858 125.5
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

patents stripe