CID 2724147

1-methoxybicyclo[2.2.2]oct-5-ene-2-carbonitrile

Structural Information

Molecular Formula
C10H13NO
SMILES
COC12CCC(CC1C#N)C=C2
InChI
InChI=1S/C10H13NO/c1-12-10-4-2-8(3-5-10)6-9(10)7-11/h2,4,8-9H,3,5-6H2,1H3
InChIKey
XQFSLPUVWRXWSQ-UHFFFAOYSA-N
Compound name
1-methoxybicyclo[2.2.2]oct-5-ene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

163.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 138.2
[M+Na]+ 186.088938 148.2
[M-H]- 162.092444 136.9
[M+NH4]+ 181.133543 163.2
[M+K]+ 202.062878 140.5
[M+H-H2O]+ 146.096980 128.6
[M+HCOO]- 208.097921 149.7
[M+CH3COO]- 222.113571 149.2
[M+Na-2H]- 184.074386 150.1
[M]+ 163.09917142 136.2
[M]- 163.10026858 136.2
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

patents stripe