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]+ 134.09642 129.5
[M+Na]+ 156.07836 138.6
[M-H]- 132.08186 128.0
[M+NH4]+ 151.12296 153.7
[M+K]+ 172.05230 131.4
[M+H-H2O]+ 116.08640 120.1
[M+HCOO]- 178.08734 141.2
[M+CH3COO]- 192.10299 140.7
[M+Na-2H]- 154.06381 141.1
[M]+ 133.08859 125.5
[M]- 133.08969 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