CID 12617272

4-hydroxycyclohexanecarbonitrile

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CC(CCC1C#N)O
InChI
InChI=1S/C7H11NO/c8-5-6-1-3-7(9)4-2-6/h6-7,9H,1-4H2
InChIKey
WXWQWXGBEHIOBL-UHFFFAOYSA-N
Compound name
4-hydroxycyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
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 124.7
[M+Na]+ 148.07328 132.9
[M-H]- 124.07678 126.8
[M+NH4]+ 143.11788 144.2
[M+K]+ 164.04722 130.5
[M+H-H2O]+ 108.08132 113.7
[M+HCOO]- 170.08226 141.4
[M+CH3COO]- 184.09791 181.7
[M+Na-2H]- 146.05873 130.0
[M]+ 125.08351 115.3
[M]- 125.08461 115.3
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