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]+ 164.10700 139.8
[M+Na]+ 186.08894 149.5
[M-H]- 162.09244 137.3
[M+NH4]+ 181.13354 164.3
[M+K]+ 202.06288 141.1
[M+H-H2O]+ 146.09698 130.6
[M+HCOO]- 208.09792 150.0
[M+CH3COO]- 222.11357 150.2
[M+Na-2H]- 184.07439 151.3
[M]+ 163.09917 136.2
[M]- 163.10027 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