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

161
Patents

125.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 124.7
[M+Na]+ 148.073278 132.9
[M-H]- 124.076784 126.8
[M+NH4]+ 143.117883 144.2
[M+K]+ 164.047218 130.5
[M+H-H2O]+ 108.081320 113.7
[M+HCOO]- 170.082261 141.4
[M+CH3COO]- 184.097911 181.7
[M+Na-2H]- 146.058726 130.0
[M]+ 125.08351142 115.3
[M]- 125.08460858 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