CID 12873901

2-(hydroxymethyl)bicyclo[2.2.2]oct-5-ene-2-carbonitrile

Structural Information

Molecular Formula
C10H13NO
SMILES
C1CC2C=CC1CC2(CO)C#N
InChI
InChI=1S/C10H13NO/c11-6-10(7-12)5-8-1-3-9(10)4-2-8/h1,3,8-9,12H,2,4-5,7H2
InChIKey
OOCVNGYRHNFRRX-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)bicyclo[2.2.2]oct-5-ene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 139.8
[M+Na]+ 186.088938 149.5
[M-H]- 162.092444 137.3
[M+NH4]+ 181.133543 164.3
[M+K]+ 202.062878 141.1
[M+H-H2O]+ 146.096980 130.6
[M+HCOO]- 208.097921 150.0
[M+CH3COO]- 222.113571 150.2
[M+Na-2H]- 184.074386 151.3
[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