CID 297283

3-hydroxyquinuclidine-3-carbonitrile

Structural Information

Molecular Formula
C8H12N2O
SMILES
C1CN2CCC1C(C2)(C#N)O
InChI
InChI=1S/C8H12N2O/c9-5-8(11)6-10-3-1-7(8)2-4-10/h7,11H,1-4,6H2
InChIKey
BEDKJKABPPDZNB-UHFFFAOYSA-N
Compound name
3-hydroxy-1-azabicyclo[2.2.2]octane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

68
Patents

152.09496 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 133.2
[M+Na]+ 175.08418 142.4
[M-H]- 151.08768 129.1
[M+NH4]+ 170.12878 156.7
[M+K]+ 191.05812 135.0
[M+H-H2O]+ 135.09222 123.3
[M+HCOO]- 197.09316 141.5
[M+CH3COO]- 211.10881 143.3
[M+Na-2H]- 173.06963 145.0
[M]+ 152.09441 128.3
[M]- 152.09551 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe