CID 22743809

3-hydroxycyclohexanecarbonitrile

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CC(CC(C1)O)C#N
InChI
InChI=1S/C7H11NO/c8-5-6-2-1-3-7(9)4-6/h6-7,9H,1-4H2
InChIKey
FNARHEUUIFYEIC-UHFFFAOYSA-N
Compound name
3-hydroxycyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

125.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 128.0
[M+Na]+ 148.07328 138.3
[M+NH4]+ 143.11788 133.5
[M+K]+ 164.04722 129.6
[M-H]- 124.07678 122.5
[M+Na-2H]- 146.05873 130.7
[M]+ 125.08351 126.9
[M]- 125.08461 126.9
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